1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylbutan-1-one

C20H23NO — CID 112762073

IUPAC1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylbutan-1-one
SMILESCc1ccc2c(c1)CCCN2C(=O)CC(C)c1ccccc1
InChIInChI=1S/C20H23NO/c1-15-10-11-19-18(13-15)9-6-12-21(19)20(22)14-16(2)17-7-4-3-5-8-17/h3-5,7-8,10-11,13,16H,6,9,12,14H2,1-2H3
InChIKeyHVXRAUORLZRMSX-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.47
Rot. Bonds3

About 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylbutan-1-one

1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylbutan-1-one (PubChem CID 112762073) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylbutan-1-one.

Molecular Properties

Compound Name1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylbutan-1-one
PubChem CID112762073
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylbutan-1-one
SMILESCc1ccc2c(c1)CCCN2C(=O)CC(C)c1ccccc1
InChIInChI=1S/C20H23NO/c1-15-10-11-19-18(13-15)9-6-12-21(19)20(22)14-16(2)17-7-4-3-5-8-17/h3-5,7-8,10-11,13,16H,6,9,12,14H2,1-2H3
InChIKeyHVXRAUORLZRMSX-UHFFFAOYSA-N
XLogP4.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 62964343
3-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one
CID 119951464
2-anilino-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride
CID 119685862
3-amino-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119685859
4-hydroxy-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 79204921
2-tert-butylsulfanyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 112762105
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 78776221
N-[(1S)-1-(4-chlorophenyl)-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 52505588
2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-propan-2-ylamino]acetic acid
CID 61186285
2-ethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 112762126
2-methyl-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 43538734
(2S)-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid
CID 78967798

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylbutan-1-one?
The IUPAC name of 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylbutan-1-one (CID 112762073) is 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylbutan-1-one.
What is the SMILES notation for 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylbutan-1-one?
The canonical SMILES for 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylbutan-1-one is Cc1ccc2c(c1)CCCN2C(=O)CC(C)c1ccccc1.
What is the InChIKey of 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylbutan-1-one?
The InChIKey is HVXRAUORLZRMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-15-10-11-19-18(13-15)9-6-12-21(19)20(22)14-16(2)17-7-4-3-5-8-17/h3-5,7-8,10-11,13,16H,6,9,12,14H2,1-2H3.
What are the key properties of 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylbutan-1-one?
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylbutan-1-one has a molecular weight of 293.41 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylbutan-1-one is sourced from PubChem (CID 112762073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).