6-chloro-4aH-quinoxalin-2-one

C8H5ClN2O — CID 71303938

IUPAC6-chloro-4aH-quinoxalin-2-one
SMILESO=C1C=NC2C=C(Cl)C=CC2=N1
InChIInChI=1S/C8H5ClN2O/c9-5-1-2-6-7(3-5)10-4-8(12)11-6/h1-4,7H
InChIKeyXEWDTMOUBLAASZ-UHFFFAOYSA-N
MW180.59 g/mol
LogP1.10
Rot. Bonds

About 6-chloro-4aH-quinoxalin-2-one

6-chloro-4aH-quinoxalin-2-one (PubChem CID 71303938) has the molecular formula C8H5ClN2O and a molecular weight of 180.59 g/mol. Its IUPAC name is 6-chloro-4aH-quinoxalin-2-one.

Molecular Properties

Compound Name6-chloro-4aH-quinoxalin-2-one
PubChem CID71303938
Molecular FormulaC8H5ClN2O
Molecular Weight180.59 g/mol
Exact Mass180.01
IUPAC Name6-chloro-4aH-quinoxalin-2-one
SMILESO=C1C=NC2C=C(Cl)C=CC2=N1
InChIInChI=1S/C8H5ClN2O/c9-5-1-2-6-7(3-5)10-4-8(12)11-6/h1-4,7H
InChIKeyXEWDTMOUBLAASZ-UHFFFAOYSA-N
XLogP1.10
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.59
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-4aH-quinoxalin-2-one
CID 73825725
6-fluoro-4aH-quinoxalin-2-one
CID 76844842
3-fluoro-4aH-quinoxalin-2-one
CID 76851270
5-fluoro-4aH-quinoxalin-2-one
CID 76851473
8-fluoro-4aH-quinoxalin-2-one
CID 76851632
7,8-difluoro-4aH-quinoxalin-2-one
CID 77232676
6,7-difluoro-4aH-quinoxalin-2-one
CID 78406984
7-(trifluoromethyl)-4aH-quinoxalin-2-one
CID 85448757
(4aR)-7-fluoro-4aH-quinoxalin-2-one
CID 124662327
(4aS)-7-fluoro-4aH-quinoxalin-2-one
CID 124662328
4aH-quinoxalin-2-one
CID 71650629
2H-1,7-naphthyridin-6-one
CID 168926721

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4aH-quinoxalin-2-one?
The IUPAC name of 6-chloro-4aH-quinoxalin-2-one (CID 71303938) is 6-chloro-4aH-quinoxalin-2-one.
What is the SMILES notation for 6-chloro-4aH-quinoxalin-2-one?
The canonical SMILES for 6-chloro-4aH-quinoxalin-2-one is O=C1C=NC2C=C(Cl)C=CC2=N1.
What is the InChIKey of 6-chloro-4aH-quinoxalin-2-one?
The InChIKey is XEWDTMOUBLAASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O/c9-5-1-2-6-7(3-5)10-4-8(12)11-6/h1-4,7H.
What are the key properties of 6-chloro-4aH-quinoxalin-2-one?
6-chloro-4aH-quinoxalin-2-one has a molecular weight of 180.59 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4aH-quinoxalin-2-one is sourced from PubChem (CID 71303938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).