1-[(2S,4R)-4-(cyclopentylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone

C24H30N2O — CID 158004937

IUPAC1-[(2S,4R)-4-(cyclopentylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](NC2CCCC2)C[C@@H]1C
InChIInChI=1S/C24H30N2O/c1-16-7-6-8-19(13-16)20-11-12-24-22(15-20)23(25-21-9-4-5-10-21)14-17(2)26(24)18(3)27/h6-8,11-13,15,17,21,23,25H,4-5,9-10,14H2,1-3H3/t17-,23+/m0/s1
InChIKeyBPGTVOVDBJPLMF-GAJHUEQPSA-N
MW362.52 g/mol
LogP5.38
Rot. Bonds3

About 1-[(2S,4R)-4-(cyclopentylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[(2S,4R)-4-(cyclopentylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 158004937) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-[(2S,4R)-4-(cyclopentylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,4R)-4-(cyclopentylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID158004937
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name1-[(2S,4R)-4-(cyclopentylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](NC2CCCC2)C[C@@H]1C
InChIInChI=1S/C24H30N2O/c1-16-7-6-8-19(13-16)20-11-12-24-22(15-20)23(25-21-9-4-5-10-21)14-17(2)26(24)18(3)27/h6-8,11-13,15,17,21,23,25H,4-5,9-10,14H2,1-3H3/t17-,23+/m0/s1
InChIKeyBPGTVOVDBJPLMF-GAJHUEQPSA-N
XLogP5.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2S,4R)-4-(cyclopentylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone with MolForge

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Related Compounds

1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 158004938
1-[(2R,4S)-2-methyl-4-(3-methylanilino)-6-(4-piperidin-1-ylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 52933251
1-[4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]ethanone
CID 90364431
N-[3-[(2S,4R)-1-acetyl-4-[4-(hydroxyamino)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide
CID 135141487
N-[3-[(2S,4R)-1-acetyl-4-(4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide
CID 135125424
propan-2-yl N-[(2S,4R)-1-acetyl-6-[3-(cyclopropanecarbonylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 135141810
4-[[1-acetyl-2-methyl-6-(4-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzonitrile;ethane
CID 176970174
methyl 3-[[(2S,4R)-6-(3-acetamidophenyl)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate
CID 135124566
1-[6-fluoro-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 87080319
N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-(1-methyltetrazol-5-yl)anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide
CID 135125526
1-[(2R,4S)-2-methyl-4-[(5-methyl-2-pyridinyl)amino]-6-[4-(piperidin-1-ylmethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 52932799
1-[(2S,4R)-4-(4-fluoro-2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylmethylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 158326968

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-4-(cyclopentylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[(2S,4R)-4-(cyclopentylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 158004937) is 1-[(2S,4R)-4-(cyclopentylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S,4R)-4-(cyclopentylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[(2S,4R)-4-(cyclopentylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](NC2CCCC2)C[C@@H]1C.
What is the InChIKey of 1-[(2S,4R)-4-(cyclopentylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is BPGTVOVDBJPLMF-GAJHUEQPSA-N. The full InChI is InChI=1S/C24H30N2O/c1-16-7-6-8-19(13-16)20-11-12-24-22(15-20)23(25-21-9-4-5-10-21)14-17(2)26(24)18(3)27/h6-8,11-13,15,17,21,23,25H,4-5,9-10,14H2,1-3H3/t17-,23+/m0/s1.
What are the key properties of 1-[(2S,4R)-4-(cyclopentylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[(2S,4R)-4-(cyclopentylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 362.52 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-4-(cyclopentylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 158004937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).