4-chloro-N-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]benzamide

C20H21ClN2O2 — CID 112762141

IUPAC4-chloro-N-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]benzamide
SMILESCc1ccc2c(c1)CCCN2C(=O)C(C)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O2/c1-13-5-10-18-16(12-13)4-3-11-23(18)20(25)14(2)22-19(24)15-6-8-17(21)9-7-15/h5-10,12,14H,3-4,11H2,1-2H3,(H,22,24)
InChIKeyOTZUFFHSHOZHTN-UHFFFAOYSA-N
MW356.85 g/mol
LogP3.75
Rot. Bonds3

About 4-chloro-N-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]benzamide

4-chloro-N-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]benzamide (PubChem CID 112762141) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 4-chloro-N-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]benzamide
PubChem CID112762141
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name4-chloro-N-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]benzamide
SMILESCc1ccc2c(c1)CCCN2C(=O)C(C)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O2/c1-13-5-10-18-16(12-13)4-3-11-23(18)20(25)14(2)22-19(24)15-6-8-17(21)9-7-15/h5-10,12,14H,3-4,11H2,1-2H3,(H,22,24)
InChIKeyOTZUFFHSHOZHTN-UHFFFAOYSA-N
XLogP3.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]benzamide with MolForge

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Related Compounds

2-(methylamino)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 62638376
N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzamide
CID 95056727
N-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-4-propan-2-ylbenzamide
CID 95091917
4-bromo-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]benzamide
CID 53037123
N-[(2S)-butan-2-yl]-1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 94086764
(2S)-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid
CID 78967798
1-[2-(methylamino)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 62638451
N-[(1S)-1-(4-chlorophenyl)-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 52505588
2-ethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 112762126
6-chloro-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110747484
N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2-methylbenzamide
CID 53037121
2-amino-4-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 24702474

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]benzamide (CID 112762141) is 4-chloro-N-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]benzamide is Cc1ccc2c(c1)CCCN2C(=O)C(C)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]benzamide?
The InChIKey is OTZUFFHSHOZHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-13-5-10-18-16(12-13)4-3-11-23(18)20(25)14(2)22-19(24)15-6-8-17(21)9-7-15/h5-10,12,14H,3-4,11H2,1-2H3,(H,22,24).
What are the key properties of 4-chloro-N-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]benzamide?
4-chloro-N-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]benzamide has a molecular weight of 356.85 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 112762141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).