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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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).