N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide

C17H13ClN2O — CID 23653724

IUPACN-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc2ncccc2c1
InChIInChI=1S/C17H13ClN2O/c18-15-5-1-3-12(9-15)11-20-17(21)14-6-7-16-13(10-14)4-2-8-19-16/h1-10H,11H2,(H,20,21)
InChIKeyHGFRVVWNOSNSLU-UHFFFAOYSA-N
MW296.76 g/mol
LogP3.82
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide

N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide (PubChem CID 23653724) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
PubChem CID23653724
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC NameN-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc2ncccc2c1
InChIInChI=1S/C17H13ClN2O/c18-15-5-1-3-12(9-15)11-20-17(21)14-6-7-16-13(10-14)4-2-8-19-16/h1-10H,11H2,(H,20,21)
InChIKeyHGFRVVWNOSNSLU-UHFFFAOYSA-N
XLogP3.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-chlorophenyl)methyl]quinoline-6-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

N-[(3-ethynylphenyl)methyl]quinoline-6-carboxamide
CID 59192286
N-[[3-(2-methylpropyl)phenyl]methyl]quinoline-6-carboxamide
CID 58387959
N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192094
N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191
N-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 2548252
N-[[5-(3-chlorophenoxy)thiophen-2-yl]methyl]quinoline-6-carboxamide
CID 58387932
N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 71822071
N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide
CID 58387946
N-(2-chloroethyl)quinoline-6-carboxamide
CID 62874874
N-[[3-(cyclohexylmethoxy)phenyl]methyl]quinoline-6-carboxamide
CID 59192104
N-(2-phenylethyl)quinoline-6-carboxamide
CID 2823262
N-[(3-pent-3-enoxyphenyl)methyl]quinoline-6-carboxamide
CID 68734738

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide (CID 23653724) is N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide is O=C(NCc1cccc(Cl)c1)c1ccc2ncccc2c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide?
The InChIKey is HGFRVVWNOSNSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c18-15-5-1-3-12(9-15)11-20-17(21)14-6-7-16-13(10-14)4-2-8-19-16/h1-10H,11H2,(H,20,21).
What are the key properties of N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide?
N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide has a molecular weight of 296.76 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide is sourced from PubChem (CID 23653724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).