4-(3-methoxyanilino)-6-phenylquinoline-3-carboxamide

C23H19N3O2 — CID 44528575

IUPAC4-(3-methoxyanilino)-6-phenylquinoline-3-carboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)cnc3ccc(-c4ccccc4)cc23)c1
InChIInChI=1S/C23H19N3O2/c1-28-18-9-5-8-17(13-18)26-22-19-12-16(15-6-3-2-4-7-15)10-11-21(19)25-14-20(22)23(24)27/h2-14H,1H3,(H2,24,27)(H,25,26)
InChIKeyPQQWAEOERWKNIT-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.75
Rot. Bonds5

About 4-(3-methoxyanilino)-6-phenylquinoline-3-carboxamide

4-(3-methoxyanilino)-6-phenylquinoline-3-carboxamide (PubChem CID 44528575) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-(3-methoxyanilino)-6-phenylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(3-methoxyanilino)-6-phenylquinoline-3-carboxamide
PubChem CID44528575
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name4-(3-methoxyanilino)-6-phenylquinoline-3-carboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)cnc3ccc(-c4ccccc4)cc23)c1
InChIInChI=1S/C23H19N3O2/c1-28-18-9-5-8-17(13-18)26-22-19-12-16(15-6-3-2-4-7-15)10-11-21(19)25-14-20(22)23(24)27/h2-14H,1H3,(H2,24,27)(H,25,26)
InChIKeyPQQWAEOERWKNIT-UHFFFAOYSA-N
XLogP4.75
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyanilino)-6-phenylquinoline-3-carboxamide?
The IUPAC name of 4-(3-methoxyanilino)-6-phenylquinoline-3-carboxamide (CID 44528575) is 4-(3-methoxyanilino)-6-phenylquinoline-3-carboxamide.
What is the SMILES notation for 4-(3-methoxyanilino)-6-phenylquinoline-3-carboxamide?
The canonical SMILES for 4-(3-methoxyanilino)-6-phenylquinoline-3-carboxamide is COc1cccc(Nc2c(C(N)=O)cnc3ccc(-c4ccccc4)cc23)c1.
What is the InChIKey of 4-(3-methoxyanilino)-6-phenylquinoline-3-carboxamide?
The InChIKey is PQQWAEOERWKNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-28-18-9-5-8-17(13-18)26-22-19-12-16(15-6-3-2-4-7-15)10-11-21(19)25-14-20(22)23(24)27/h2-14H,1H3,(H2,24,27)(H,25,26).
What are the key properties of 4-(3-methoxyanilino)-6-phenylquinoline-3-carboxamide?
4-(3-methoxyanilino)-6-phenylquinoline-3-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyanilino)-6-phenylquinoline-3-carboxamide is sourced from PubChem (CID 44528575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).