2-(4-methylphenyl)-1-(2-methylquinolin-4-yl)ethanone

C19H17NO — CID 105078848

IUPAC2-(4-methylphenyl)-1-(2-methylquinolin-4-yl)ethanone
SMILESCc1ccc(CC(=O)c2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C19H17NO/c1-13-7-9-15(10-8-13)12-19(21)17-11-14(2)20-18-6-4-3-5-16(17)18/h3-11H,12H2,1-2H3
InChIKeyCINPIMMCJPRVCK-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.28
Rot. Bonds3

About 2-(4-methylphenyl)-1-(2-methylquinolin-4-yl)ethanone

2-(4-methylphenyl)-1-(2-methylquinolin-4-yl)ethanone (PubChem CID 105078848) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-(2-methylquinolin-4-yl)ethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-(2-methylquinolin-4-yl)ethanone
PubChem CID105078848
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name2-(4-methylphenyl)-1-(2-methylquinolin-4-yl)ethanone
SMILESCc1ccc(CC(=O)c2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C19H17NO/c1-13-7-9-15(10-8-13)12-19(21)17-11-14(2)20-18-6-4-3-5-16(17)18/h3-11H,12H2,1-2H3
InChIKeyCINPIMMCJPRVCK-UHFFFAOYSA-N
XLogP4.28
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(2-methylquinolin-4-yl)butan-1-one
CID 105077594
2-methoxy-1-(2-methylquinolin-4-yl)ethanone
CID 105115074
3-methyl-1-(2-methylquinolin-4-yl)but-3-en-1-one
CID 105112623
2-(1-methylimidazol-2-yl)-1-(2-methylquinolin-4-yl)ethanone
CID 105116313
1-(2-methylquinolin-4-yl)heptan-1-one
CID 54325185
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
1-isoquinolin-4-yl-2-(4-methylphenyl)ethanone
CID 63940934
benzyl 2-methylquinoline-4-carboxylate
CID 804130
2-ethyl-1-(2-methylquinolin-4-yl)butan-1-one
CID 102319888
1-(2-methylquinolin-4-yl)prop-2-yn-1-one
CID 105108238
methyl N-[[4-[[(2-methylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate
CID 18729746
N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 7959679

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-(2-methylquinolin-4-yl)ethanone?
The IUPAC name of 2-(4-methylphenyl)-1-(2-methylquinolin-4-yl)ethanone (CID 105078848) is 2-(4-methylphenyl)-1-(2-methylquinolin-4-yl)ethanone.
What is the SMILES notation for 2-(4-methylphenyl)-1-(2-methylquinolin-4-yl)ethanone?
The canonical SMILES for 2-(4-methylphenyl)-1-(2-methylquinolin-4-yl)ethanone is Cc1ccc(CC(=O)c2cc(C)nc3ccccc23)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-(2-methylquinolin-4-yl)ethanone?
The InChIKey is CINPIMMCJPRVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c1-13-7-9-15(10-8-13)12-19(21)17-11-14(2)20-18-6-4-3-5-16(17)18/h3-11H,12H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-1-(2-methylquinolin-4-yl)ethanone?
2-(4-methylphenyl)-1-(2-methylquinolin-4-yl)ethanone has a molecular weight of 275.35 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-(2-methylquinolin-4-yl)ethanone is sourced from PubChem (CID 105078848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).