4-(4-aminophenyl)-7-methylquinoline-2-carboxamide

C17H15N3O — CID 123481673

IUPAC4-(4-aminophenyl)-7-methylquinoline-2-carboxamide
SMILESCc1ccc2c(-c3ccc(N)cc3)cc(C(N)=O)nc2c1
InChIInChI=1S/C17H15N3O/c1-10-2-7-13-14(11-3-5-12(18)6-4-11)9-16(17(19)21)20-15(13)8-10/h2-9H,18H2,1H3,(H2,19,21)
InChIKeyHBLWVBMOXWKXRR-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.89
Rot. Bonds2

About 4-(4-aminophenyl)-7-methylquinoline-2-carboxamide

4-(4-aminophenyl)-7-methylquinoline-2-carboxamide (PubChem CID 123481673) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-(4-aminophenyl)-7-methylquinoline-2-carboxamide.

Molecular Properties

Compound Name4-(4-aminophenyl)-7-methylquinoline-2-carboxamide
PubChem CID123481673
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name4-(4-aminophenyl)-7-methylquinoline-2-carboxamide
SMILESCc1ccc2c(-c3ccc(N)cc3)cc(C(N)=O)nc2c1
InChIInChI=1S/C17H15N3O/c1-10-2-7-13-14(11-3-5-12(18)6-4-11)9-16(17(19)21)20-15(13)8-10/h2-9H,18H2,1H3,(H2,19,21)
InChIKeyHBLWVBMOXWKXRR-UHFFFAOYSA-N
XLogP2.89
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

SB 222200
CID 6604009
2-Quinolinecarboxamide, N-hydroxy-
CID 148031
2-Benzoylquinoline
CID 727029
4-tert-butyl-N-(quinolin-3-yl)benzamide
CID 797382
4-butyl-N-(quinolin-3-yl)benzamide
CID 1860395
Quinoline-2-carbohydrazide
CID 246466
2-N,6-N-bis(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 1010589
Acetophenone, 4'-(9-acridinylamino)-
CID 51972
N-Phenyl-1,2,3,4-tetrahydro-9-acridinecarboxamide
CID 775717
2-Phenylquinoline-4-carbohydrazide
CID 72488
6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-N-methoxy-3-methylquinoline-4-carboxamide
CID 154702659
2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 2849628

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-7-methylquinoline-2-carboxamide?
The IUPAC name of 4-(4-aminophenyl)-7-methylquinoline-2-carboxamide (CID 123481673) is 4-(4-aminophenyl)-7-methylquinoline-2-carboxamide.
What is the SMILES notation for 4-(4-aminophenyl)-7-methylquinoline-2-carboxamide?
The canonical SMILES for 4-(4-aminophenyl)-7-methylquinoline-2-carboxamide is Cc1ccc2c(-c3ccc(N)cc3)cc(C(N)=O)nc2c1.
What is the InChIKey of 4-(4-aminophenyl)-7-methylquinoline-2-carboxamide?
The InChIKey is HBLWVBMOXWKXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-10-2-7-13-14(11-3-5-12(18)6-4-11)9-16(17(19)21)20-15(13)8-10/h2-9H,18H2,1H3,(H2,19,21).
What are the key properties of 4-(4-aminophenyl)-7-methylquinoline-2-carboxamide?
4-(4-aminophenyl)-7-methylquinoline-2-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-7-methylquinoline-2-carboxamide is sourced from PubChem (CID 123481673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).