Larotinib
6-[3-[(4aS,7aR)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl]propoxy]-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine
Molecular Identity
Larotinib
6-[3-[(4aS,7aR)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl]propoxy]-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine
PubChem CID: 89584422
2D Structure
Properties
C24H26ClFN4O4
Molecular Formula
488.90
Molecular Weight
g/mol
488.1627
Exact Mass
Da
3.9
XLogP
Drug-like (Lipinski: < 5)
78
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
9
H-Bond Acceptors
640
Complexity
SMILES
Canonical SMILES
SMILES: COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CC5C(C4)OCCO5Isomeric SMILES
SMILES: COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4C[C@@H]5[C@H](C4)OCCO5Synonyms(15)
LAROTINIB1438072-11-7rel-N-(3-Chloro-4-fluorophenyl)-6-(3-((4aR,7aS)-hexahydro-6H-[1,4]dioxino[2,3-c]pyrrol-6-yl)propoxy)-7-methoxyquinazolin-4-amineC24H26ClFN4O4orb1744254SCHEMBL14971150SCHEMBL30207628EX-A7708AT33901DA-64867TS-09654HY-153110CS-0650981T733346-[3-[(4aS,7aR)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl]propoxy]-N-(3-chloro-4-fluoro-phenyl)-7-methoxy-quinazolin-4-amine
Data from PubChem (NCBI)
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Drug Network
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