[4-(3-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone

C24H23NO2 — CID 59987557

IUPAC[4-(3-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
SMILESCOc1cccc(C2CC(C)N(C(=O)c3ccccc3)c3ccccc32)c1
InChIInChI=1S/C24H23NO2/c1-17-15-22(19-11-8-12-20(16-19)27-2)21-13-6-7-14-23(21)25(17)24(26)18-9-4-3-5-10-18/h3-14,16-17,22H,15H2,1-2H3
InChIKeyTWILGJNKLYSFFC-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.27
Rot. Bonds3

About [4-(3-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone

[4-(3-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone (PubChem CID 59987557) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is [4-(3-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(3-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
PubChem CID59987557
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name[4-(3-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
SMILESCOc1cccc(C2CC(C)N(C(=O)c3ccccc3)c3ccccc32)c1
InChIInChI=1S/C24H23NO2/c1-17-15-22(19-11-8-12-20(16-19)27-2)21-13-6-7-14-23(21)25(17)24(26)18-9-4-3-5-10-18/h3-14,16-17,22H,15H2,1-2H3
InChIKeyTWILGJNKLYSFFC-UHFFFAOYSA-N
XLogP5.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-dimethyl-4-phenyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone
CID 23889651
(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone
CID 584780
N-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-(3-methoxyphenyl)acetamide
CID 19576143
N-[(2S,4S)-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 7097678
[6-methoxy-4-(4-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
CID 3843727
N-[(2R,4S)-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-pyridin-2-ylacetamide
CID 21093025
(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone
CID 585634
[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methoxyphenyl)methanone
CID 1102966
N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-methoxy-N-phenylbenzamide
CID 1041001
N-benzyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 69401991
N-(4-chlorophenyl)-N-ethyl-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 67165820
(4-methoxyphenyl)-[(2S,4R)-2-methyl-4-(pyridin-4-ylamino)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 68923504

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone?
The IUPAC name of [4-(3-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone (CID 59987557) is [4-(3-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(3-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(3-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone is COc1cccc(C2CC(C)N(C(=O)c3ccccc3)c3ccccc32)c1.
What is the InChIKey of [4-(3-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone?
The InChIKey is TWILGJNKLYSFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-17-15-22(19-11-8-12-20(16-19)27-2)21-13-6-7-14-23(21)25(17)24(26)18-9-4-3-5-10-18/h3-14,16-17,22H,15H2,1-2H3.
What are the key properties of [4-(3-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone?
[4-(3-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone has a molecular weight of 357.45 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone is sourced from PubChem (CID 59987557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).