3-methyl-2,3-dihydro-1H-quinolin-4-one

C10H11NO — CID 14714861

IUPAC3-methyl-2,3-dihydro-1H-quinolin-4-one
SMILESCC1CNc2ccccc2C1=O
InChIInChI=1S/C10H11NO/c1-7-6-11-9-5-3-2-4-8(9)10(7)12/h2-5,7,11H,6H2,1H3
InChIKeyXDIJRKJCKGZOHH-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.93
Rot. Bonds

About 3-methyl-2,3-dihydro-1H-quinolin-4-one

3-methyl-2,3-dihydro-1H-quinolin-4-one (PubChem CID 14714861) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-methyl-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name3-methyl-2,3-dihydro-1H-quinolin-4-one
PubChem CID14714861
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name3-methyl-2,3-dihydro-1H-quinolin-4-one
SMILESCC1CNc2ccccc2C1=O
InChIInChI=1S/C10H11NO/c1-7-6-11-9-5-3-2-4-8(9)10(7)12/h2-5,7,11H,6H2,1H3
InChIKeyXDIJRKJCKGZOHH-UHFFFAOYSA-N
XLogP1.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Hydroxyquinoline
CID 69141
Acridone
CID 2015
2-Heptyl-4-hydroxyquinoline
CID 164974
N-Methylacridone
CID 69751
1-Methyl-4-quinolone
CID 6748
2-Methylquinolin-4-ol
CID 69089
2-Phenyl-4-oxohydroquinoline
CID 161091
Aurachin D
CID 6124753
2-Undecyl-4(1H)-quinolone
CID 10063343
2-Methyl-acridone
CID 419818
2-(2-Nonenyl)-3-methylquinolin-4(1H)-one
CID 10401590
7-(Trifluorophenyl)quinolin-4-ol
CID 67582

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of 3-methyl-2,3-dihydro-1H-quinolin-4-one (CID 14714861) is 3-methyl-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for 3-methyl-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for 3-methyl-2,3-dihydro-1H-quinolin-4-one is CC1CNc2ccccc2C1=O.
What is the InChIKey of 3-methyl-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is XDIJRKJCKGZOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-7-6-11-9-5-3-2-4-8(9)10(7)12/h2-5,7,11H,6H2,1H3.
What are the key properties of 3-methyl-2,3-dihydro-1H-quinolin-4-one?
3-methyl-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 161.20 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 14714861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).