1-(7-chloro-2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone

C11H13ClN2O — CID 82391759

IUPAC1-(7-chloro-2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone
SMILESCC(=O)N1c2cc(Cl)ccc2NCC1C
InChIInChI=1S/C11H13ClN2O/c1-7-6-13-10-4-3-9(12)5-11(10)14(7)8(2)15/h3-5,7,13H,6H2,1-2H3
InChIKeyDPVOHSRSWBFILW-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.51
Rot. Bonds

About 1-(7-chloro-2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone

1-(7-chloro-2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone (PubChem CID 82391759) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 1-(7-chloro-2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone.

Molecular Properties

Compound Name1-(7-chloro-2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone
PubChem CID82391759
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name1-(7-chloro-2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone
SMILESCC(=O)N1c2cc(Cl)ccc2NCC1C
InChIInChI=1S/C11H13ClN2O/c1-7-6-13-10-4-3-9(12)5-11(10)14(7)8(2)15/h3-5,7,13H,6H2,1-2H3
InChIKeyDPVOHSRSWBFILW-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone;hydrochloride
CID 154574825
1-(6-bromo-2-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)ethanone
CID 118079168
7-chloro-1-methyl-3,4-dihydroquinoxalin-2-one
CID 84619430
(2,5-dichlorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 63910582
7-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine;ethane
CID 156641344
8-chloro-10-ethyl-1,3,3a,4,5,10a-hexahydrofuro[3,4-b][1,5]benzodiazepine
CID 115472232
5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinoxalin-6-yl)-N,N-diethyl-2-methoxybenzenesulfonamide
CID 123852801
4-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 114851362
N-[(2S,4R)-1-acetyl-6-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 7316015
1-[(2S)-4-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 139393774
1-[4-(4-chloroanilino)-2-methyl-6-(1H-pyrrol-2-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 67208060
1-acetyl-6-chloro-2-(2-oxobutyl)-2H-indol-3-one
CID 170650876

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone?
The IUPAC name of 1-(7-chloro-2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone (CID 82391759) is 1-(7-chloro-2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone.
What is the SMILES notation for 1-(7-chloro-2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone?
The canonical SMILES for 1-(7-chloro-2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone is CC(=O)N1c2cc(Cl)ccc2NCC1C.
What is the InChIKey of 1-(7-chloro-2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone?
The InChIKey is DPVOHSRSWBFILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-7-6-13-10-4-3-9(12)5-11(10)14(7)8(2)15/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 1-(7-chloro-2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone?
1-(7-chloro-2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone has a molecular weight of 224.69 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone is sourced from PubChem (CID 82391759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).