7-chloro-5-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one

C12H15ClN2O — CID 84629283

IUPAC7-chloro-5-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
SMILESCc1cc(Cl)cc2c1NCC(=O)N2C(C)C
InChIInChI=1S/C12H15ClN2O/c1-7(2)15-10-5-9(13)4-8(3)12(10)14-6-11(15)16/h4-5,7,14H,6H2,1-3H3
InChIKeyNKNJZXFVHBVSNA-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.82
Rot. Bonds1

About 7-chloro-5-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one

7-chloro-5-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one (PubChem CID 84629283) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 7-chloro-5-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name7-chloro-5-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
PubChem CID84629283
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name7-chloro-5-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
SMILESCc1cc(Cl)cc2c1NCC(=O)N2C(C)C
InChIInChI=1S/C12H15ClN2O/c1-7(2)15-10-5-9(13)4-8(3)12(10)14-6-11(15)16/h4-5,7,14H,6H2,1-3H3
InChIKeyNKNJZXFVHBVSNA-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

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
6-amino-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 28693556
7-chloro-8-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84629266
1-(7-chloro-2,2,5-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone
CID 84634803
6-chloro-8-methyl-3,4-dihydro-1H-quinoxalin-2-one
CID 84619437
9-chloro-7-methyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione
CID 84640070
deuterium monohydride;2-methylidene-3-propan-2-ylimidazolidin-4-one
CID 159139539
7-chloro-1-methyl-3,4-dihydroquinoxalin-2-one
CID 84619430
3-(2-bromo-5-chloro-4-methylphenyl)imidazolidine-2,4-dione
CID 107841891
1-(4-chloro-2-methylphenyl)pyrrolidine-2,5-dione
CID 82080534
5-bromo-1,7-dimethyl-3,4-dihydroquinoxalin-2-one
CID 84635544

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 7-chloro-5-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one (CID 84629283) is 7-chloro-5-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 7-chloro-5-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 7-chloro-5-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one is Cc1cc(Cl)cc2c1NCC(=O)N2C(C)C.
What is the InChIKey of 7-chloro-5-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The InChIKey is NKNJZXFVHBVSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-7(2)15-10-5-9(13)4-8(3)12(10)14-6-11(15)16/h4-5,7,14H,6H2,1-3H3.
What are the key properties of 7-chloro-5-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one?
7-chloro-5-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-5-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 84629283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).