2-(2-chlorophenyl)-2-methyl-N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]propanamide

C19H21ClN2O2 — CID 95313899

IUPAC2-(2-chlorophenyl)-2-methyl-N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]propanamide
SMILESCC(C)(C(=O)N[C@@H]1CCCc2[nH]c(=O)ccc21)c1ccccc1Cl
InChIInChI=1S/C19H21ClN2O2/c1-19(2,13-6-3-4-7-14(13)20)18(24)22-16-9-5-8-15-12(16)10-11-17(23)21-15/h3-4,6-7,10-11,16H,5,8-9H2,1-2H3,(H,21,23)(H,22,24)/t16-/m1/s1
InChIKeyIBPFHBZLYVILQV-MRXNPFEDSA-N
MW344.84 g/mol
LogP3.50
Rot. Bonds3

About 2-(2-chlorophenyl)-2-methyl-N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]propanamide

2-(2-chlorophenyl)-2-methyl-N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]propanamide (PubChem CID 95313899) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-methyl-N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-methyl-N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]propanamide
PubChem CID95313899
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-(2-chlorophenyl)-2-methyl-N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]propanamide
SMILESCC(C)(C(=O)N[C@@H]1CCCc2[nH]c(=O)ccc21)c1ccccc1Cl
InChIInChI=1S/C19H21ClN2O2/c1-19(2,13-6-3-4-7-14(13)20)18(24)22-16-9-5-8-15-12(16)10-11-17(23)21-15/h3-4,6-7,10-11,16H,5,8-9H2,1-2H3,(H,21,23)(H,22,24)/t16-/m1/s1
InChIKeyIBPFHBZLYVILQV-MRXNPFEDSA-N
XLogP3.50
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-chlorophenyl)-2-methyl-N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]propanamide with MolForge

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Related Compounds

(5S)-5-(methylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 89053172
1-(4-chlorophenyl)sulfonyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)cyclopropane-1-carboxamide
CID 138996885
5-(3,3-dimethylbutylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 113260561
3,3-dicyclopropyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)propanamide
CID 48591784
N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 95596132
1-tert-butyl-3,5-dimethyl-N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]pyrazole-4-carboxamide
CID 94649400
1-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-3-(2-pyridin-2-ylethyl)urea
CID 94150130
5-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 22890957
3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzoic acid
CID 81107427
5-(2-methylsulfanylanilino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81107570
2-(2,3-dihydro-1H-inden-5-yl)-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)acetamide
CID 56811120
1-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-3-(thiophen-2-ylmethyl)urea
CID 167836217

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-methyl-N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]propanamide?
The IUPAC name of 2-(2-chlorophenyl)-2-methyl-N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]propanamide (CID 95313899) is 2-(2-chlorophenyl)-2-methyl-N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]propanamide.
What is the SMILES notation for 2-(2-chlorophenyl)-2-methyl-N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]propanamide?
The canonical SMILES for 2-(2-chlorophenyl)-2-methyl-N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]propanamide is CC(C)(C(=O)N[C@@H]1CCCc2[nH]c(=O)ccc21)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-methyl-N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]propanamide?
The InChIKey is IBPFHBZLYVILQV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-19(2,13-6-3-4-7-14(13)20)18(24)22-16-9-5-8-15-12(16)10-11-17(23)21-15/h3-4,6-7,10-11,16H,5,8-9H2,1-2H3,(H,21,23)(H,22,24)/t16-/m1/s1.
What are the key properties of 2-(2-chlorophenyl)-2-methyl-N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]propanamide?
2-(2-chlorophenyl)-2-methyl-N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]propanamide has a molecular weight of 344.84 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-methyl-N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]propanamide is sourced from PubChem (CID 95313899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).