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

C20H21ClN2O2 — CID 18142208

IUPACN-[(2-chlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCN(Cc1ccccc1Cl)C(=O)CCC1Cc2ccccc2NC1=O
InChIInChI=1S/C20H21ClN2O2/c1-23(13-16-7-2-4-8-17(16)21)19(24)11-10-15-12-14-6-3-5-9-18(14)22-20(15)25/h2-9,15H,10-13H2,1H3,(H,22,25)
InChIKeyDFXDAHAYAZUAQK-UHFFFAOYSA-N
MW356.85 g/mol
LogP3.89
Rot. Bonds5

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

N-[(2-chlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (PubChem CID 18142208) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
PubChem CID18142208
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC NameN-[(2-chlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCN(Cc1ccccc1Cl)C(=O)CCC1Cc2ccccc2NC1=O
InChIInChI=1S/C20H21ClN2O2/c1-23(13-16-7-2-4-8-17(16)21)19(24)11-10-15-12-14-6-3-5-9-18(14)22-20(15)25/h2-9,15H,10-13H2,1H3,(H,22,25)
InChIKeyDFXDAHAYAZUAQK-UHFFFAOYSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16622329
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 111543322
N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 18162223
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 119653931
N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 134053937
(2S)-N-[(2-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61163671
N-benzyl-N-butan-2-yl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 43042321
N-[(2-chlorophenyl)methyl]-N-methyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 27774120
2-[cyclopropyl-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]amino]propanoic acid
CID 119203368
3-(2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 145472008
2-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]phenyl]acetic acid
CID 119218504
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (CID 18142208) is N-[(2-chlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is CN(Cc1ccccc1Cl)C(=O)CCC1Cc2ccccc2NC1=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The InChIKey is DFXDAHAYAZUAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-23(13-16-7-2-4-8-17(16)21)19(24)11-10-15-12-14-6-3-5-9-18(14)22-20(15)25/h2-9,15H,10-13H2,1H3,(H,22,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
N-[(2-chlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide has a molecular weight of 356.85 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 18142208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).