N-[(4-chlorophenyl)methyl]quinoline-2-carboxamide

C17H13ClN2O — CID 2094700

IUPACN-[(4-chlorophenyl)methyl]quinoline-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C17H13ClN2O/c18-14-8-5-12(6-9-14)11-19-17(21)16-10-7-13-3-1-2-4-15(13)20-16/h1-10H,11H2,(H,19,21)
InChIKeyJHCMWHKDVSATCE-UHFFFAOYSA-N
MW296.76 g/mol
LogP3.82
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]quinoline-2-carboxamide

N-[(4-chlorophenyl)methyl]quinoline-2-carboxamide (PubChem CID 2094700) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]quinoline-2-carboxamide
PubChem CID2094700
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC NameN-[(4-chlorophenyl)methyl]quinoline-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C17H13ClN2O/c18-14-8-5-12(6-9-14)11-19-17(21)16-10-7-13-3-1-2-4-15(13)20-16/h1-10H,11H2,(H,19,21)
InChIKeyJHCMWHKDVSATCE-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-[(4-chlorophenyl)methyl]quinoline-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]quinoline-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]quinoline-2-carboxamide (CID 2094700) is N-[(4-chlorophenyl)methyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]quinoline-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]quinoline-2-carboxamide is O=C(NCc1ccc(Cl)cc1)c1ccc2ccccc2n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]quinoline-2-carboxamide?
The InChIKey is JHCMWHKDVSATCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c18-14-8-5-12(6-9-14)11-19-17(21)16-10-7-13-3-1-2-4-15(13)20-16/h1-10H,11H2,(H,19,21).
What are the key properties of N-[(4-chlorophenyl)methyl]quinoline-2-carboxamide?
N-[(4-chlorophenyl)methyl]quinoline-2-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-[(4-chlorophenyl)methyl]quinoline-2-carboxamide is sourced from PubChem (CID 2094700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).