2-amino-N-benzylquinoline-3-carboxamide

C17H15N3O — CID 14177193

IUPAC2-amino-N-benzylquinoline-3-carboxamide
SMILESNc1nc2ccccc2cc1C(=O)NCc1ccccc1
InChIInChI=1S/C17H15N3O/c18-16-14(10-13-8-4-5-9-15(13)20-16)17(21)19-11-12-6-2-1-3-7-12/h1-10H,11H2,(H2,18,20)(H,19,21)
InChIKeyBLQDINCLLINSLL-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.75
Rot. Bonds3

About 2-amino-N-benzylquinoline-3-carboxamide

2-amino-N-benzylquinoline-3-carboxamide (PubChem CID 14177193) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-amino-N-benzylquinoline-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-benzylquinoline-3-carboxamide
PubChem CID14177193
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-amino-N-benzylquinoline-3-carboxamide
SMILESNc1nc2ccccc2cc1C(=O)NCc1ccccc1
InChIInChI=1S/C17H15N3O/c18-16-14(10-13-8-4-5-9-15(13)20-16)17(21)19-11-12-6-2-1-3-7-12/h1-10H,11H2,(H2,18,20)(H,19,21)
InChIKeyBLQDINCLLINSLL-UHFFFAOYSA-N
XLogP2.75
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(4-phenylphenyl)methyl]quinoline-3-carboxamide
CID 53382850
2-amino-N-benzyl-5-hydroxybenzamide
CID 54594052
2-amino-N-benzyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide
CID 4914849
3-amino-N-benzyl-7-methylquinoxaline-2-carboxamide
CID 58247232
2-amino-N-benzyl-4-methylpyrimidine-5-carboxamide
CID 1487920
4-amino-N-benzyl-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 83567447
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
5-amino-N-benzyl-2-methylpyridine-3-carboxamide
CID 54917003
2-aminoquinoline-3-carboxylic acid;ethyl 2-aminoquinoline-3-carboxylate
CID 161289500
2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-N-benzylquinoline-4-carboxamide
CID 24777127
4-amino-N-benzyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 53143942
6-amino-N-benzylpyridine-2-carboxamide
CID 62240949

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzylquinoline-3-carboxamide?
The IUPAC name of 2-amino-N-benzylquinoline-3-carboxamide (CID 14177193) is 2-amino-N-benzylquinoline-3-carboxamide.
What is the SMILES notation for 2-amino-N-benzylquinoline-3-carboxamide?
The canonical SMILES for 2-amino-N-benzylquinoline-3-carboxamide is Nc1nc2ccccc2cc1C(=O)NCc1ccccc1.
What is the InChIKey of 2-amino-N-benzylquinoline-3-carboxamide?
The InChIKey is BLQDINCLLINSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c18-16-14(10-13-8-4-5-9-15(13)20-16)17(21)19-11-12-6-2-1-3-7-12/h1-10H,11H2,(H2,18,20)(H,19,21).
What are the key properties of 2-amino-N-benzylquinoline-3-carboxamide?
2-amino-N-benzylquinoline-3-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzylquinoline-3-carboxamide is sourced from PubChem (CID 14177193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).