2-(3-chloro-4-methoxyphenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)acetamide

C19H19ClN2O3 — CID 71842987

IUPAC2-(3-chloro-4-methoxyphenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3c(c2)CCC(=O)N3C)cc1Cl
InChIInChI=1S/C19H19ClN2O3/c1-22-16-6-5-14(11-13(16)4-8-19(22)24)21-18(23)10-12-3-7-17(25-2)15(20)9-12/h3,5-7,9,11H,4,8,10H2,1-2H3,(H,21,23)
InChIKeyYBORNMGCEGDDLJ-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.44
Rot. Bonds4

About 2-(3-chloro-4-methoxyphenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)acetamide

2-(3-chloro-4-methoxyphenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)acetamide (PubChem CID 71842987) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)acetamide
PubChem CID71842987
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name2-(3-chloro-4-methoxyphenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3c(c2)CCC(=O)N3C)cc1Cl
InChIInChI=1S/C19H19ClN2O3/c1-22-16-6-5-14(11-13(16)4-8-19(22)24)21-18(23)10-12-3-7-17(25-2)15(20)9-12/h3,5-7,9,11H,4,8,10H2,1-2H3,(H,21,23)
InChIKeyYBORNMGCEGDDLJ-UHFFFAOYSA-N
XLogP3.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376030
2-chloro-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 27421932
N-[4-(benzamidocarbamoyl)phenyl]-2-(3-chloro-4-methoxyphenyl)acetamide
CID 71656387
2-(3,4-dimethoxyphenyl)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7498752
3-(2-bromophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide
CID 71806539
N-(3-chloro-4-methoxyphenyl)-2-(2-oxo-6-piperidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide
CID 20958737
methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)amino]-4-oxobutanoate
CID 110777123
N-cyclopentyl-2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)acetamide
CID 110768543
1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylurea
CID 30376036
2-(3-aminophenyl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 28712195
N-(3-chloro-4-methoxyphenyl)-2-(4-ethoxyphenyl)acetamide
CID 26823011
2-(2-methoxyphenyl)-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide
CID 110729357

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)acetamide?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)acetamide (CID 71842987) is 2-(3-chloro-4-methoxyphenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)acetamide?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)acetamide is COc1ccc(CC(=O)Nc2ccc3c(c2)CCC(=O)N3C)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)acetamide?
The InChIKey is YBORNMGCEGDDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-22-16-6-5-14(11-13(16)4-8-19(22)24)21-18(23)10-12-3-7-17(25-2)15(20)9-12/h3,5-7,9,11H,4,8,10H2,1-2H3,(H,21,23).
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)acetamide?
2-(3-chloro-4-methoxyphenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)acetamide has a molecular weight of 358.83 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)acetamide is sourced from PubChem (CID 71842987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).