2-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylquinoline-6-carboxamide

C18H13ClF2N2O — CID 55730341

IUPAC2-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylquinoline-6-carboxamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C18H13ClF2N2O/c1-23(10-13-2-5-14(20)9-15(13)21)18(24)12-3-6-16-11(8-12)4-7-17(19)22-16/h2-9H,10H2,1H3
InChIKeyIDYZRCIBPBENRA-UHFFFAOYSA-N
MW346.76 g/mol
LogP4.44
Rot. Bonds3

About 2-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylquinoline-6-carboxamide

2-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylquinoline-6-carboxamide (PubChem CID 55730341) has the molecular formula C18H13ClF2N2O and a molecular weight of 346.76 g/mol. Its IUPAC name is 2-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylquinoline-6-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylquinoline-6-carboxamide
PubChem CID55730341
Molecular FormulaC18H13ClF2N2O
Molecular Weight346.76 g/mol
Exact Mass346.07
IUPAC Name2-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylquinoline-6-carboxamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C18H13ClF2N2O/c1-23(10-13-2-5-14(20)9-15(13)21)18(24)12-3-6-16-11(8-12)4-7-17(19)22-16/h2-9H,10H2,1H3
InChIKeyIDYZRCIBPBENRA-UHFFFAOYSA-N
XLogP4.44
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.76
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylquinoline-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-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-N-methylbenzamide
CID 134053299
2-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylquinoline-6-carboxamide
CID 55958040
2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-6-carboxamide
CID 111663099
6-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylpyridazine-3-carboxamide
CID 61040897
2-chloro-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylquinoline-6-carboxamide
CID 55858078
4-amino-N-[(2,4-difluorophenyl)methyl]-N-methyl-3-nitrobenzamide
CID 38220259
[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55999459
1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-N-methylpyrazole-4-carboxamide
CID 55871766
2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 62072492
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166392
N-[(2,4-difluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 134046590
ethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60725198

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylquinoline-6-carboxamide?
The IUPAC name of 2-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylquinoline-6-carboxamide (CID 55730341) is 2-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylquinoline-6-carboxamide.
What is the SMILES notation for 2-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylquinoline-6-carboxamide?
The canonical SMILES for 2-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylquinoline-6-carboxamide is CN(Cc1ccc(F)cc1F)C(=O)c1ccc2nc(Cl)ccc2c1.
What is the InChIKey of 2-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylquinoline-6-carboxamide?
The InChIKey is IDYZRCIBPBENRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N2O/c1-23(10-13-2-5-14(20)9-15(13)21)18(24)12-3-6-16-11(8-12)4-7-17(19)22-16/h2-9H,10H2,1H3.
What are the key properties of 2-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylquinoline-6-carboxamide?
2-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylquinoline-6-carboxamide has a molecular weight of 346.76 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylquinoline-6-carboxamide is sourced from PubChem (CID 55730341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).