6-chloro-1-methyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one

C12H15ClN2O — CID 84629259

IUPAC6-chloro-1-methyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
SMILESCC(C)C1Nc2cc(Cl)ccc2N(C)C1=O
InChIInChI=1S/C12H15ClN2O/c1-7(2)11-12(16)15(3)10-5-4-8(13)6-9(10)14-11/h4-7,11,14H,1-3H3
InChIKeyUNACNUNULHRBHK-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.75
Rot. Bonds1

About 6-chloro-1-methyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one

6-chloro-1-methyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one (PubChem CID 84629259) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 6-chloro-1-methyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name6-chloro-1-methyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
PubChem CID84629259
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name6-chloro-1-methyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
SMILESCC(C)C1Nc2cc(Cl)ccc2N(C)C1=O
InChIInChI=1S/C12H15ClN2O/c1-7(2)11-12(16)15(3)10-5-4-8(13)6-9(10)14-11/h4-7,11,14H,1-3H3
InChIKeyUNACNUNULHRBHK-UHFFFAOYSA-N
XLogP2.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-1-methyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84622977
6-chloro-1,3-dimethyl-3,4-dihydroquinoxalin-2-one
CID 83509943
6-ethyl-1-methyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84627150
5-methyl-7-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157944
(4S)-7-chloro-1,4-dimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one
CID 15266163
1-(4-chloro-2-fluorophenyl)-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 64965228
1-(5-chloro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64961548
6,7-dichloro-1,3-di(propan-2-yl)-3,4-dihydroquinoxalin-2-one
CID 82157709
(5S)-3-(4-chlorophenyl)-5-propan-2-ylimidazolidine-2,4-dione
CID 93037488
1,8-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84623020
2-(6,7-dichloro-2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)acetonitrile
CID 82157708
8-bromo-1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84644433

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 6-chloro-1-methyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one (CID 84629259) is 6-chloro-1-methyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 6-chloro-1-methyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 6-chloro-1-methyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one is CC(C)C1Nc2cc(Cl)ccc2N(C)C1=O.
What is the InChIKey of 6-chloro-1-methyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The InChIKey is UNACNUNULHRBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-7(2)11-12(16)15(3)10-5-4-8(13)6-9(10)14-11/h4-7,11,14H,1-3H3.
What are the key properties of 6-chloro-1-methyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one?
6-chloro-1-methyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one has a molecular weight of 238.72 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 84629259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).