3-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylbenzamide

C19H17ClN2O3 — CID 1242780

IUPAC3-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylbenzamide
SMILESCOc1ccc2[nH]c(=O)c(CN(C)C(=O)c3cccc(Cl)c3)cc2c1
InChIInChI=1S/C19H17ClN2O3/c1-22(19(24)12-4-3-5-15(20)9-12)11-14-8-13-10-16(25-2)6-7-17(13)21-18(14)23/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyOHOXJXGMDDVHIK-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.46
Rot. Bonds4

About 3-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylbenzamide

3-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylbenzamide (PubChem CID 1242780) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is 3-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylbenzamide
PubChem CID1242780
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name3-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylbenzamide
SMILESCOc1ccc2[nH]c(=O)c(CN(C)C(=O)c3cccc(Cl)c3)cc2c1
InChIInChI=1S/C19H17ClN2O3/c1-22(19(24)12-4-3-5-15(20)9-12)11-14-8-13-10-16(25-2)6-7-17(13)21-18(14)23/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyOHOXJXGMDDVHIK-UHFFFAOYSA-N
XLogP3.46
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methyl-3-nitrobenzamide
CID 1422756
2-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylbenzamide
CID 1427730
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N,3-dimethylbutanamide
CID 907840
3-(3-chlorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-methoxyphenyl)methyl]urea
CID 1430695
4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide
CID 1427706
3-chloro-N-ethyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3159255
N-[(2-chlorophenyl)methyl]-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1459093
N-[2-(3-chlorophenyl)ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331318
4-chloro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1384915
2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 110324907
3-chloro-N-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1457677
3-chloro-N-(2,5-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 17101052

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylbenzamide?
The IUPAC name of 3-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylbenzamide (CID 1242780) is 3-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylbenzamide is COc1ccc2[nH]c(=O)c(CN(C)C(=O)c3cccc(Cl)c3)cc2c1.
What is the InChIKey of 3-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylbenzamide?
The InChIKey is OHOXJXGMDDVHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-22(19(24)12-4-3-5-15(20)9-12)11-14-8-13-10-16(25-2)6-7-17(13)21-18(14)23/h3-10H,11H2,1-2H3,(H,21,23).
What are the key properties of 3-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylbenzamide?
3-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylbenzamide has a molecular weight of 356.81 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 1242780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).