4-amino-N-benzyl-2-methylquinoline-6-carboxamide

C18H17N3O — CID 15133405

IUPAC4-amino-N-benzyl-2-methylquinoline-6-carboxamide
SMILESCc1cc(N)c2cc(C(=O)NCc3ccccc3)ccc2n1
InChIInChI=1S/C18H17N3O/c1-12-9-16(19)15-10-14(7-8-17(15)21-12)18(22)20-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,19,21)(H,20,22)
InChIKeyJCJTZFMGKDYEKW-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.06
Rot. Bonds3

About 4-amino-N-benzyl-2-methylquinoline-6-carboxamide

4-amino-N-benzyl-2-methylquinoline-6-carboxamide (PubChem CID 15133405) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-amino-N-benzyl-2-methylquinoline-6-carboxamide.

Molecular Properties

Compound Name4-amino-N-benzyl-2-methylquinoline-6-carboxamide
PubChem CID15133405
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name4-amino-N-benzyl-2-methylquinoline-6-carboxamide
SMILESCc1cc(N)c2cc(C(=O)NCc3ccccc3)ccc2n1
InChIInChI=1S/C18H17N3O/c1-12-9-16(19)15-10-14(7-8-17(15)21-12)18(22)20-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,19,21)(H,20,22)
InChIKeyJCJTZFMGKDYEKW-UHFFFAOYSA-N
XLogP3.06
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-benzyl-4-methylbenzamide
CID 12607982
4-amino-2-methylquinoline-6-carboxylic acid;hydrochloride
CID 139269662
N-benzyl-2-methyl-1,3-benzothiazole-6-carboxamide
CID 3154693
N-benzylquinazoline-6-carboxamide
CID 141061658
N-(4-amino-2-methylquinolin-6-yl)-2-benzylbenzamide
CID 10546941
2-methylquinolin-4-amine
CID 162035180
N-benzyl-3-(3,4-diamino-5-methylphenyl)benzamide
CID 168873200
2-amino-N-benzylpyridine-4-carboxamide
CID 18752897
N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874
3-amino-N-benzyl-7-methylquinoxaline-2-carboxamide
CID 58247232
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
N-benzyl-4-methylquinoline-2-carboxamide
CID 164678694

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-2-methylquinoline-6-carboxamide?
The IUPAC name of 4-amino-N-benzyl-2-methylquinoline-6-carboxamide (CID 15133405) is 4-amino-N-benzyl-2-methylquinoline-6-carboxamide.
What is the SMILES notation for 4-amino-N-benzyl-2-methylquinoline-6-carboxamide?
The canonical SMILES for 4-amino-N-benzyl-2-methylquinoline-6-carboxamide is Cc1cc(N)c2cc(C(=O)NCc3ccccc3)ccc2n1.
What is the InChIKey of 4-amino-N-benzyl-2-methylquinoline-6-carboxamide?
The InChIKey is JCJTZFMGKDYEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-12-9-16(19)15-10-14(7-8-17(15)21-12)18(22)20-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,19,21)(H,20,22).
What are the key properties of 4-amino-N-benzyl-2-methylquinoline-6-carboxamide?
4-amino-N-benzyl-2-methylquinoline-6-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-2-methylquinoline-6-carboxamide is sourced from PubChem (CID 15133405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).