2-chloro-N-(3,5-dimethoxyphenyl)quinoline-4-carboxamide

C18H15ClN2O3 — CID 9011295

IUPAC2-chloro-N-(3,5-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cc(NC(=O)c2cc(Cl)nc3ccccc23)cc(OC)c1
InChIInChI=1S/C18H15ClN2O3/c1-23-12-7-11(8-13(9-12)24-2)20-18(22)15-10-17(19)21-16-6-4-3-5-14(15)16/h3-10H,1-2H3,(H,20,22)
InChIKeyJHVYTFPECLSFRQ-UHFFFAOYSA-N
MW342.78 g/mol
LogP4.16
Rot. Bonds4

About 2-chloro-N-(3,5-dimethoxyphenyl)quinoline-4-carboxamide

2-chloro-N-(3,5-dimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 9011295) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-dimethoxyphenyl)quinoline-4-carboxamide
PubChem CID9011295
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name2-chloro-N-(3,5-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cc(NC(=O)c2cc(Cl)nc3ccccc23)cc(OC)c1
InChIInChI=1S/C18H15ClN2O3/c1-23-12-7-11(8-13(9-12)24-2)20-18(22)15-10-17(19)21-16-6-4-3-5-14(15)16/h3-10H,1-2H3,(H,20,22)
InChIKeyJHVYTFPECLSFRQ-UHFFFAOYSA-N
XLogP4.16
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 9096906
2-chloro-N-[4-(dimethylamino)-3,5-difluorophenyl]quinoline-4-carboxamide
CID 55907680
methyl 2-chloroquinoline-4-carboxylate
CID 5202936
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
2-chloro-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)quinoline-4-carboxamide
CID 55799712
2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)quinoline-4-carboxamide
CID 65486238
N-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 4150006
2-chloro-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 43082670
N-(3,5-dimethoxyphenyl)-2-methylbenzamide
CID 9096893
2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)quinoline-4-carboxamide
CID 80709861
2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)quinoline-4-carboxamide
CID 106180063
N-butyl-2-chloroquinoline-4-carboxamide
CID 14813194

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-chloro-N-(3,5-dimethoxyphenyl)quinoline-4-carboxamide (CID 9011295) is 2-chloro-N-(3,5-dimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(3,5-dimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-chloro-N-(3,5-dimethoxyphenyl)quinoline-4-carboxamide is COc1cc(NC(=O)c2cc(Cl)nc3ccccc23)cc(OC)c1.
What is the InChIKey of 2-chloro-N-(3,5-dimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is JHVYTFPECLSFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-23-12-7-11(8-13(9-12)24-2)20-18(22)15-10-17(19)21-16-6-4-3-5-14(15)16/h3-10H,1-2H3,(H,20,22).
What are the key properties of 2-chloro-N-(3,5-dimethoxyphenyl)quinoline-4-carboxamide?
2-chloro-N-(3,5-dimethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 342.78 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 9011295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).