3-chloro-N-(2-methylquinolin-8-yl)pyridine-4-carboxamide

C16H12ClN3O — CID 66482984

IUPAC3-chloro-N-(2-methylquinolin-8-yl)pyridine-4-carboxamide
SMILESCc1ccc2cccc(NC(=O)c3ccncc3Cl)c2n1
InChIInChI=1S/C16H12ClN3O/c1-10-5-6-11-3-2-4-14(15(11)19-10)20-16(21)12-7-8-18-9-13(12)17/h2-9H,1H3,(H,20,21)
InChIKeyLWPCRGRRBQDZNX-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.84
Rot. Bonds2

About 3-chloro-N-(2-methylquinolin-8-yl)pyridine-4-carboxamide

3-chloro-N-(2-methylquinolin-8-yl)pyridine-4-carboxamide (PubChem CID 66482984) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 3-chloro-N-(2-methylquinolin-8-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-methylquinolin-8-yl)pyridine-4-carboxamide
PubChem CID66482984
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name3-chloro-N-(2-methylquinolin-8-yl)pyridine-4-carboxamide
SMILESCc1ccc2cccc(NC(=O)c3ccncc3Cl)c2n1
InChIInChI=1S/C16H12ClN3O/c1-10-5-6-11-3-2-4-14(15(11)19-10)20-16(21)12-7-8-18-9-13(12)17/h2-9H,1H3,(H,20,21)
InChIKeyLWPCRGRRBQDZNX-UHFFFAOYSA-N
XLogP3.84
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-(2-methylquinolin-8-yl)pyridine-4-carboxamide
CID 81440113
6-chloro-N-(2-methylquinolin-8-yl)pyrazine-2-carboxamide
CID 103337437
3-chloro-N-(2,3-dimethylphenyl)pyridine-4-carboxamide
CID 66462249
2-hydroxy-N-(2-methylquinolin-8-yl)benzamide
CID 62954992
3-chloro-N-(3-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 66484528
3-chloro-N-(2-hydroxyphenyl)pyridine-4-carboxamide
CID 103715642
N-(2-methylquinolin-8-yl)pyrene-1-carboxamide
CID 168859940
3-chloro-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 66462437
N-[3-(tert-butylcarbamoyl)-2-methylphenyl]-3-chloropyridine-4-carboxamide
CID 131914327
5-bromo-2,3,4-trimethyl-N-(2-methylquinolin-8-yl)benzamide
CID 23833429
3-chloro-N-(5-chloroquinolin-8-yl)pyridine-4-carboxamide
CID 66464804
5-bromo-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide
CID 62954817

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methylquinolin-8-yl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(2-methylquinolin-8-yl)pyridine-4-carboxamide (CID 66482984) is 3-chloro-N-(2-methylquinolin-8-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-methylquinolin-8-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(2-methylquinolin-8-yl)pyridine-4-carboxamide is Cc1ccc2cccc(NC(=O)c3ccncc3Cl)c2n1.
What is the InChIKey of 3-chloro-N-(2-methylquinolin-8-yl)pyridine-4-carboxamide?
The InChIKey is LWPCRGRRBQDZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c1-10-5-6-11-3-2-4-14(15(11)19-10)20-16(21)12-7-8-18-9-13(12)17/h2-9H,1H3,(H,20,21).
What are the key properties of 3-chloro-N-(2-methylquinolin-8-yl)pyridine-4-carboxamide?
3-chloro-N-(2-methylquinolin-8-yl)pyridine-4-carboxamide has a molecular weight of 297.75 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methylquinolin-8-yl)pyridine-4-carboxamide is sourced from PubChem (CID 66482984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).