8-(benzylamino)quinoline-5-carboxamide

C17H15N3O — CID 58516198

IUPAC8-(benzylamino)quinoline-5-carboxamide
SMILESNC(=O)c1ccc(NCc2ccccc2)c2ncccc12
InChIInChI=1S/C17H15N3O/c18-17(21)14-8-9-15(16-13(14)7-4-10-19-16)20-11-12-5-2-1-3-6-12/h1-10,20H,11H2,(H2,18,21)
InChIKeyLYKJFSHWCHAYSL-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.95
Rot. Bonds4

About 8-(benzylamino)quinoline-5-carboxamide

8-(benzylamino)quinoline-5-carboxamide (PubChem CID 58516198) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 8-(benzylamino)quinoline-5-carboxamide.

Molecular Properties

Compound Name8-(benzylamino)quinoline-5-carboxamide
PubChem CID58516198
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name8-(benzylamino)quinoline-5-carboxamide
SMILESNC(=O)c1ccc(NCc2ccccc2)c2ncccc12
InChIInChI=1S/C17H15N3O/c18-17(21)14-8-9-15(16-13(14)7-4-10-19-16)20-11-12-5-2-1-3-6-12/h1-10,20H,11H2,(H2,18,21)
InChIKeyLYKJFSHWCHAYSL-UHFFFAOYSA-N
XLogP2.95
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-(benzylamino)quinoline-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,4-N-dibenzylnaphthalene-1,4-diamine
CID 139621317
8-N-[(3-fluorophenyl)methyl]quinoline-5,8-diamine
CID 43450144
1-[2-(benzylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid
CID 58470814
2-[(5-chloroquinolin-8-yl)amino]acetic acid
CID 116783965
8-N-(3-phenylpropyl)quinoline-5,8-diamine
CID 60904771
benzyl N-(5-chloroquinolin-8-yl)carbamate
CID 130156860
8-N-(thiophen-3-ylmethyl)quinoline-5,8-diamine
CID 55173328
2-phenyl-N-(5-phenylquinolin-8-yl)acetamide
CID 141483582
4-N-benzyl-1,5-naphthyridine-2,4-diamine
CID 91308709
4-[[(8-methylquinolin-5-yl)amino]methyl]phenol
CID 43731510
4-[[(5-chloroquinolin-8-yl)amino]methyl]benzonitrile
CID 60927125
2-benzylpyridine-3-carboxamide;dihydrochloride
CID 141007334

Frequently Asked Questions

What is the IUPAC name of 8-(benzylamino)quinoline-5-carboxamide?
The IUPAC name of 8-(benzylamino)quinoline-5-carboxamide (CID 58516198) is 8-(benzylamino)quinoline-5-carboxamide.
What is the SMILES notation for 8-(benzylamino)quinoline-5-carboxamide?
The canonical SMILES for 8-(benzylamino)quinoline-5-carboxamide is NC(=O)c1ccc(NCc2ccccc2)c2ncccc12.
What is the InChIKey of 8-(benzylamino)quinoline-5-carboxamide?
The InChIKey is LYKJFSHWCHAYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c18-17(21)14-8-9-15(16-13(14)7-4-10-19-16)20-11-12-5-2-1-3-6-12/h1-10,20H,11H2,(H2,18,21).
What are the key properties of 8-(benzylamino)quinoline-5-carboxamide?
8-(benzylamino)quinoline-5-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(benzylamino)quinoline-5-carboxamide is sourced from PubChem (CID 58516198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).