7-chloro-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one

C12H15ClN2O — CID 79290502

IUPAC7-chloro-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESCC(C)CC1Nc2ccc(Cl)cc2NC1=O
InChIInChI=1S/C12H15ClN2O/c1-7(2)5-11-12(16)15-10-6-8(13)3-4-9(10)14-11/h3-4,6-7,11,14H,5H2,1-2H3,(H,15,16)
InChIKeyOOQQZWUZBNXQTC-UHFFFAOYSA-N
MW238.72 g/mol
LogP3.12
Rot. Bonds2

About 7-chloro-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one

7-chloro-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 79290502) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 7-chloro-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-chloro-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID79290502
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name7-chloro-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESCC(C)CC1Nc2ccc(Cl)cc2NC1=O
InChIInChI=1S/C12H15ClN2O/c1-7(2)5-11-12(16)15-10-6-8(13)3-4-9(10)14-11/h3-4,6-7,11,14H,5H2,1-2H3,(H,15,16)
InChIKeyOOQQZWUZBNXQTC-UHFFFAOYSA-N
XLogP3.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 79290407
7-fluoro-6-methyl-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 103594407
2-(2-methylpropyl)-3-oxo-N-(1-phenylethyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 22427152
(3S)-7-amino-3-(2-methylpropyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 97357778
(2R)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 92695881
6-chloro-3-(2-methylpropylamino)-1,3-dihydroindol-2-one
CID 82236806
(3R,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 23278156
7-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline
CID 115472197
(3R)-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
CID 82396244
7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
CID 79302916
2-[(3-chlorophenyl)methylsulfanylmethyl]-N-(3-methylbutyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 23734718
1-(2,5-dichlorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64961786

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 7-chloro-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one (CID 79290502) is 7-chloro-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 7-chloro-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 7-chloro-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one is CC(C)CC1Nc2ccc(Cl)cc2NC1=O.
What is the InChIKey of 7-chloro-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is OOQQZWUZBNXQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-7(2)5-11-12(16)15-10-6-8(13)3-4-9(10)14-11/h3-4,6-7,11,14H,5H2,1-2H3,(H,15,16).
What are the key properties of 7-chloro-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one?
7-chloro-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 238.72 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 79290502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).