3-(4-chlorophenyl)-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide

C20H19ClN2O2 — CID 4969773

IUPAC3-(4-chlorophenyl)-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
SMILESCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2O2/c1-23(20(25)11-8-14-6-9-16(21)10-7-14)13-15-12-19(24)22-18-5-3-2-4-17(15)18/h2-7,9-10,12H,8,11,13H2,1H3,(H,22,24)
InChIKeyJSTPFJZTAHGWKQ-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.77
Rot. Bonds5

About 3-(4-chlorophenyl)-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide

3-(4-chlorophenyl)-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide (PubChem CID 4969773) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
PubChem CID4969773
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name3-(4-chlorophenyl)-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
SMILESCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2O2/c1-23(20(25)11-8-14-6-9-16(21)10-7-14)13-15-12-19(24)22-18-5-3-2-4-17(15)18/h2-7,9-10,12H,8,11,13H2,1H3,(H,22,24)
InChIKeyJSTPFJZTAHGWKQ-UHFFFAOYSA-N
XLogP3.77
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 100590851
2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide
CID 7555926
3-(2-fluorophenyl)-1-methyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749466
N-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 26622391
3-(4-chlorophenyl)-1-(2-methylpropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749499
N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylacetamide
CID 664652
3-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide
CID 61117836
N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4893298
3-(2,5-dimethylphenyl)-1-methyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749594
1-methyl-3-(3-methylsulfanylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749451
3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 39246978
3-(4-fluorophenyl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 134049187

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide (CID 4969773) is 3-(4-chlorophenyl)-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide is CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)CCc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide?
The InChIKey is JSTPFJZTAHGWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-23(20(25)11-8-14-6-9-16(21)10-7-14)13-15-12-19(24)22-18-5-3-2-4-17(15)18/h2-7,9-10,12H,8,11,13H2,1H3,(H,22,24).
What are the key properties of 3-(4-chlorophenyl)-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide?
3-(4-chlorophenyl)-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide has a molecular weight of 354.84 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide is sourced from PubChem (CID 4969773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).