1-[4-(4-methoxyphenyl)-2-methylquinolin-3-yl]ethanone

C19H17NO2 — CID 672266

IUPAC1-[4-(4-methoxyphenyl)-2-methylquinolin-3-yl]ethanone
SMILESCOc1ccc(-c2c(C(C)=O)c(C)nc3ccccc23)cc1
InChIInChI=1S/C19H17NO2/c1-12-18(13(2)21)19(14-8-10-15(22-3)11-9-14)16-6-4-5-7-17(16)20-12/h4-11H,1-3H3
InChIKeyKLCBACVWVITMDC-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.42
Rot. Bonds3

About 1-[4-(4-methoxyphenyl)-2-methylquinolin-3-yl]ethanone

1-[4-(4-methoxyphenyl)-2-methylquinolin-3-yl]ethanone (PubChem CID 672266) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)-2-methylquinolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)-2-methylquinolin-3-yl]ethanone
PubChem CID672266
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name1-[4-(4-methoxyphenyl)-2-methylquinolin-3-yl]ethanone
SMILESCOc1ccc(-c2c(C(C)=O)c(C)nc3ccccc23)cc1
InChIInChI=1S/C19H17NO2/c1-12-18(13(2)21)19(14-8-10-15(22-3)11-9-14)16-6-4-5-7-17(16)20-12/h4-11H,1-3H3
InChIKeyKLCBACVWVITMDC-UHFFFAOYSA-N
XLogP4.42
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-bis(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 95560580
3-(4-methoxyphenyl)quinoline-2,4-dicarboxylate
CID 5216026
ethyl 4-(4-fluorophenyl)-2-methylquinoline-3-carboxylate
CID 11594733
1-[3-amino-2-benzoyl-4-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridin-5-yl]ethanone
CID 14268896
1-[4-(4-chlorophenyl)-2-methyl-8-phenoxyquinolin-3-yl]ethanone
CID 67549067
1-[4-[2-(2-amino-2-methylpropyl)-4,5-dimethoxyphenyl]-2-methylquinolin-3-yl]ethanone
CID 162401183
2-(4-methoxyphenyl)-4-methylquinazoline
CID 15566164
6-chloro-N-(4-methoxyphenyl)-2-methyl-4-phenylquinoline-3-carboxamide
CID 8966053
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2,4-dimethylquinoline-3-carboxylate
CID 8825277
N'-amino-2-methyl-4-phenylquinoline-3-carboximidamide
CID 144584922
1-[4-(3-hydroxypropyl)-2-methylquinolin-3-yl]ethanone
CID 46238176
N-(2-iodophenyl)-2-methyl-4-phenylquinoline-3-carboxamide
CID 134138354

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)-2-methylquinolin-3-yl]ethanone?
The IUPAC name of 1-[4-(4-methoxyphenyl)-2-methylquinolin-3-yl]ethanone (CID 672266) is 1-[4-(4-methoxyphenyl)-2-methylquinolin-3-yl]ethanone.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)-2-methylquinolin-3-yl]ethanone?
The canonical SMILES for 1-[4-(4-methoxyphenyl)-2-methylquinolin-3-yl]ethanone is COc1ccc(-c2c(C(C)=O)c(C)nc3ccccc23)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)-2-methylquinolin-3-yl]ethanone?
The InChIKey is KLCBACVWVITMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-12-18(13(2)21)19(14-8-10-15(22-3)11-9-14)16-6-4-5-7-17(16)20-12/h4-11H,1-3H3.
What are the key properties of 1-[4-(4-methoxyphenyl)-2-methylquinolin-3-yl]ethanone?
1-[4-(4-methoxyphenyl)-2-methylquinolin-3-yl]ethanone has a molecular weight of 291.35 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)-2-methylquinolin-3-yl]ethanone is sourced from PubChem (CID 672266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).