7-chloro-8-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one

C12H15ClN2O — CID 84629266

IUPAC7-chloro-8-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
SMILESCc1c(Cl)ccc2c1N(C(C)C)C(=O)CN2
InChIInChI=1S/C12H15ClN2O/c1-7(2)15-11(16)6-14-10-5-4-9(13)8(3)12(10)15/h4-5,7,14H,6H2,1-3H3
InChIKeyDUFOFKZHRNQAML-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.82
Rot. Bonds1

About 7-chloro-8-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one

7-chloro-8-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one (PubChem CID 84629266) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 7-chloro-8-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name7-chloro-8-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
PubChem CID84629266
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name7-chloro-8-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
SMILESCc1c(Cl)ccc2c1N(C(C)C)C(=O)CN2
InChIInChI=1S/C12H15ClN2O/c1-7(2)15-11(16)6-14-10-5-4-9(13)8(3)12(10)15/h4-5,7,14H,6H2,1-3H3
InChIKeyDUFOFKZHRNQAML-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-fluoro-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84621075
6-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 83509588
6-chloro-7-cyclopropyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 155027483
7-chloro-3,5,6-trimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 84629272
7-chloro-5-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84629283
6-amino-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 28693556
7-chloro-3,5,6-trimethyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 84624783
8-chloro-1-ethyl-6-methyl-3,4-dihydroquinoxalin-2-one
CID 84624735
deuterium monohydride;2-methylidene-3-propan-2-ylimidazolidin-4-one
CID 159139539
8-chloro-9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
CID 84624318
4,5-dimethyl-3-propan-2-yl-1,2-dihydrobenzimidazole
CID 141109299
7-chloro-1-methyl-3,4-dihydroquinoxalin-2-one
CID 84619430

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 7-chloro-8-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one (CID 84629266) is 7-chloro-8-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 7-chloro-8-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 7-chloro-8-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one is Cc1c(Cl)ccc2c1N(C(C)C)C(=O)CN2.
What is the InChIKey of 7-chloro-8-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The InChIKey is DUFOFKZHRNQAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-7(2)15-11(16)6-14-10-5-4-9(13)8(3)12(10)15/h4-5,7,14H,6H2,1-3H3.
What are the key properties of 7-chloro-8-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one?
7-chloro-8-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one has a molecular weight of 238.72 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 84629266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).