2-methyl-1-phenyl-3-quinolin-2-ylpropan-1-one

C19H17NO — CID 104844942

IUPAC2-methyl-1-phenyl-3-quinolin-2-ylpropan-1-one
SMILESCC(Cc1ccc2ccccc2n1)C(=O)c1ccccc1
InChIInChI=1S/C19H17NO/c1-14(19(21)16-8-3-2-4-9-16)13-17-12-11-15-7-5-6-10-18(15)20-17/h2-12,14H,13H2,1H3
InChIKeyABJUAZBTZPVZMV-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.30
Rot. Bonds4

About 2-methyl-1-phenyl-3-quinolin-2-ylpropan-1-one

2-methyl-1-phenyl-3-quinolin-2-ylpropan-1-one (PubChem CID 104844942) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-methyl-1-phenyl-3-quinolin-2-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-phenyl-3-quinolin-2-ylpropan-1-one
PubChem CID104844942
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name2-methyl-1-phenyl-3-quinolin-2-ylpropan-1-one
SMILESCC(Cc1ccc2ccccc2n1)C(=O)c1ccccc1
InChIInChI=1S/C19H17NO/c1-14(19(21)16-8-3-2-4-9-16)13-17-12-11-15-7-5-6-10-18(15)20-17/h2-12,14H,13H2,1H3
InChIKeyABJUAZBTZPVZMV-UHFFFAOYSA-N
XLogP4.30
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-methyl-3-quinolin-2-ylpropanoate
CID 59134939
4-methyl-2-(methylamino)-1-quinolin-2-ylpentan-3-one
CID 71153530
(2S)-4-methyl-1-quinolin-2-yl-2-(1-sulfanylethylamino)pentan-3-one
CID 146366568
ethyl 2-amino-3-quinolin-2-ylpropanoate
CID 5002488
3-(7-fluoroquinolin-2-yl)-2-methylpropanoic acid
CID 82243062
4-amino-3-methyl-1-quinolin-2-ylbutan-2-one
CID 116564666
3-(6-fluoroquinolin-2-yl)-2-hydroxy-1-phenylpropan-1-one
CID 132915457
N-(1-phenyl-3-quinolin-2-ylpropan-2-yl)acetamide
CID 130455232
(1R)-1-phenyl-2-quinolin-2-ylethanol
CID 92849987
3-naphthalen-2-yl-1-phenyl-4-quinolin-2-ylbutan-1-one
CID 122399303
3-(6-chloroquinolin-2-yl)-2-methylpropanoic acid
CID 82244797
2-quinolin-2-ylacetic acid;hydrate
CID 141421012

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-3-quinolin-2-ylpropan-1-one?
The IUPAC name of 2-methyl-1-phenyl-3-quinolin-2-ylpropan-1-one (CID 104844942) is 2-methyl-1-phenyl-3-quinolin-2-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-phenyl-3-quinolin-2-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-phenyl-3-quinolin-2-ylpropan-1-one is CC(Cc1ccc2ccccc2n1)C(=O)c1ccccc1.
What is the InChIKey of 2-methyl-1-phenyl-3-quinolin-2-ylpropan-1-one?
The InChIKey is ABJUAZBTZPVZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c1-14(19(21)16-8-3-2-4-9-16)13-17-12-11-15-7-5-6-10-18(15)20-17/h2-12,14H,13H2,1H3.
What are the key properties of 2-methyl-1-phenyl-3-quinolin-2-ylpropan-1-one?
2-methyl-1-phenyl-3-quinolin-2-ylpropan-1-one has a molecular weight of 275.35 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-3-quinolin-2-ylpropan-1-one is sourced from PubChem (CID 104844942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).