N-(6-chloroquinolin-4-yl)-3-methoxybenzamide

C17H13ClN2O2 — CID 17016577

IUPACN-(6-chloroquinolin-4-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccnc3ccc(Cl)cc23)c1
InChIInChI=1S/C17H13ClN2O2/c1-22-13-4-2-3-11(9-13)17(21)20-16-7-8-19-15-6-5-12(18)10-14(15)16/h2-10H,1H3,(H,19,20,21)
InChIKeyCJHPLVGTJPAXBA-UHFFFAOYSA-N
MW312.76 g/mol
LogP4.15
Rot. Bonds3

About N-(6-chloroquinolin-4-yl)-3-methoxybenzamide

N-(6-chloroquinolin-4-yl)-3-methoxybenzamide (PubChem CID 17016577) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is N-(6-chloroquinolin-4-yl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(6-chloroquinolin-4-yl)-3-methoxybenzamide
PubChem CID17016577
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC NameN-(6-chloroquinolin-4-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccnc3ccc(Cl)cc23)c1
InChIInChI=1S/C17H13ClN2O2/c1-22-13-4-2-3-11(9-13)17(21)20-16-7-8-19-15-6-5-12(18)10-14(15)16/h2-10H,1H3,(H,19,20,21)
InChIKeyCJHPLVGTJPAXBA-UHFFFAOYSA-N
XLogP4.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-chloroquinolin-4-yl)pyridine-2-carboxamide
CID 17016566
6-chloro-N-[4-[(3-chlorobenzoyl)amino]-3-methoxyphenyl]quinoline-4-carboxamide
CID 156773715
2-N-(4-chloro-2-methylphenyl)-4-N-(3-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092938
5-bromo-N-(6-chloroquinolin-4-yl)pyridine-3-carboxamide
CID 17016569
3-chloro-N-quinolin-5-ylbenzamide
CID 5127132
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-3-methoxybenzamide
CID 95362021
3-anilino-N-[3-[(6-methoxyquinolin-4-yl)amino]phenyl]benzamide
CID 170001905
4-N-(3-chlorophenyl)-2-N-(3-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092816
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-3-methoxybenzamide
CID 24830372
4-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11429828
N-(2-chloro-4-iodophenyl)-3-methoxybenzamide
CID 1371600
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3-methoxybenzamide
CID 16841327

Frequently Asked Questions

What is the IUPAC name of N-(6-chloroquinolin-4-yl)-3-methoxybenzamide?
The IUPAC name of N-(6-chloroquinolin-4-yl)-3-methoxybenzamide (CID 17016577) is N-(6-chloroquinolin-4-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(6-chloroquinolin-4-yl)-3-methoxybenzamide?
The canonical SMILES for N-(6-chloroquinolin-4-yl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccnc3ccc(Cl)cc23)c1.
What is the InChIKey of N-(6-chloroquinolin-4-yl)-3-methoxybenzamide?
The InChIKey is CJHPLVGTJPAXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c1-22-13-4-2-3-11(9-13)17(21)20-16-7-8-19-15-6-5-12(18)10-14(15)16/h2-10H,1H3,(H,19,20,21).
What are the key properties of N-(6-chloroquinolin-4-yl)-3-methoxybenzamide?
N-(6-chloroquinolin-4-yl)-3-methoxybenzamide has a molecular weight of 312.76 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloroquinolin-4-yl)-3-methoxybenzamide is sourced from PubChem (CID 17016577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).