1-benzyl-2,2-dimethyl-3H-quinolin-4-one

C18H19NO — CID 139227185

IUPAC1-benzyl-2,2-dimethyl-3H-quinolin-4-one
SMILESCC1(C)CC(=O)c2ccccc2N1Cc1ccccc1
InChIInChI=1S/C18H19NO/c1-18(2)12-17(20)15-10-6-7-11-16(15)19(18)13-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3
InChIKeyKOMXTLYWZYWARQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.06
Rot. Bonds2

About 1-benzyl-2,2-dimethyl-3H-quinolin-4-one

1-benzyl-2,2-dimethyl-3H-quinolin-4-one (PubChem CID 139227185) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-benzyl-2,2-dimethyl-3H-quinolin-4-one.

Molecular Properties

Compound Name1-benzyl-2,2-dimethyl-3H-quinolin-4-one
PubChem CID139227185
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-benzyl-2,2-dimethyl-3H-quinolin-4-one
SMILESCC1(C)CC(=O)c2ccccc2N1Cc1ccccc1
InChIInChI=1S/C18H19NO/c1-18(2)12-17(20)15-10-6-7-11-16(15)19(18)13-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3
InChIKeyKOMXTLYWZYWARQ-UHFFFAOYSA-N
XLogP4.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzylspiro[3H-quinazoline-2,1'-cyclohexane]-4-one
CID 13441558
1,1'-dibenzylspiro[3H-quinazoline-2,2'-indole]-3',4-dione
CID 12582829
2,2-dimethyl-1-(4-phenylbutanoyl)-3H-quinolin-4-one
CID 167644306
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3-benzyl-2,2-dimethylimidazolidin-4-one
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2-benzyl-3-methyl-3-prop-1-en-2-yl-4H-isoquinolin-1-one
CID 46895860
4-benzyl-3,3,6,7-tetramethyl-1,2-dihydroquinoxaline
CID 82156683
(4R)-4-(2-aminoethyl)-1-benzyl-4-methylazetidin-2-one;methane
CID 142384259
(3S)-3-methyl-3-(2-phenylethyl)-2H-inden-1-one
CID 102415186
1-benzyl-2-methyl-5-oxopyrrolidine-2-carbonitrile
CID 117066612
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CID 4070912

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,2-dimethyl-3H-quinolin-4-one?
The IUPAC name of 1-benzyl-2,2-dimethyl-3H-quinolin-4-one (CID 139227185) is 1-benzyl-2,2-dimethyl-3H-quinolin-4-one.
What is the SMILES notation for 1-benzyl-2,2-dimethyl-3H-quinolin-4-one?
The canonical SMILES for 1-benzyl-2,2-dimethyl-3H-quinolin-4-one is CC1(C)CC(=O)c2ccccc2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2,2-dimethyl-3H-quinolin-4-one?
The InChIKey is KOMXTLYWZYWARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-18(2)12-17(20)15-10-6-7-11-16(15)19(18)13-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3.
What are the key properties of 1-benzyl-2,2-dimethyl-3H-quinolin-4-one?
1-benzyl-2,2-dimethyl-3H-quinolin-4-one has a molecular weight of 265.36 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,2-dimethyl-3H-quinolin-4-one is sourced from PubChem (CID 139227185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).