Ispinesib
N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide
Molecular Identity
Ispinesib
N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide
PubChem CID: 6851740
N-(3-aminopropyl)-N-[(1R)-1-[7-chloro-4-oxo-3-(phenylmethyl)-2-quinazolinyl]-2-methylpropyl]-4-methylbenzamide is a member of benzamides.
2D Structure
Properties
C30H33ClN4O2
Molecular Formula
517.10
Molecular Weight
g/mol
516.2292
Exact Mass
Da
5.3
XLogP
Above Lipinski threshold
79
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
803
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)CIsomeric SMILES
SMILES: CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)CSynonyms(20)
Ispinesib336113-53-2SB-715992BKT5F9C2NISB715992DTXSID20187307n-(3-aminopropyl)-n-[(1r)-1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamideispinesibumN-(3-aminopropyl)-N-((1R)-1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)-2-methylpropyl)-4-methylbenzamideRefChem:150176DTXCID90109798NSC727990Ispinesib (SB-715992)Ispinesib [INN]SB 715992
Data from PubChem (NCBI)
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