7-chloro-1-propyl-3,4-dihydroquinoxalin-2-one

C11H13ClN2O — CID 84624682

IUPAC7-chloro-1-propyl-3,4-dihydroquinoxalin-2-one
SMILESCCCN1C(=O)CNc2ccc(Cl)cc21
InChIInChI=1S/C11H13ClN2O/c1-2-5-14-10-6-8(12)3-4-9(10)13-7-11(14)15/h3-4,6,13H,2,5,7H2,1H3
InChIKeyAXXYONGDOXRTHI-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.51
Rot. Bonds2

About 7-chloro-1-propyl-3,4-dihydroquinoxalin-2-one

7-chloro-1-propyl-3,4-dihydroquinoxalin-2-one (PubChem CID 84624682) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 7-chloro-1-propyl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name7-chloro-1-propyl-3,4-dihydroquinoxalin-2-one
PubChem CID84624682
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name7-chloro-1-propyl-3,4-dihydroquinoxalin-2-one
SMILESCCCN1C(=O)CNc2ccc(Cl)cc21
InChIInChI=1S/C11H13ClN2O/c1-2-5-14-10-6-8(12)3-4-9(10)13-7-11(14)15/h3-4,6,13H,2,5,7H2,1H3
InChIKeyAXXYONGDOXRTHI-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

Analyze 7-chloro-1-propyl-3,4-dihydroquinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-tert-butyl-1-propyl-3,4-dihydroquinoxalin-2-one
CID 84632527
7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one
CID 84623560
7-chloro-1-methyl-3,4-dihydroquinoxalin-2-one
CID 84619430
4-butyl-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile
CID 117007007
7-bromo-1-(3-methylbutyl)-3,4-dihydroquinoxalin-2-one
CID 117006307
1-ethyl-7-(trifluoromethyl)-3,4-dihydroquinoxalin-2-one
CID 84631097
5,6-dimethyl-1-propyl-3,4-dihydroquinoxalin-2-one
CID 84623081
4-(3-methylbutyl)-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile
CID 117007024
1-butyl-2-oxo-3,4-dihydroquinoxaline-6-carbonitrile
CID 83644029
5-[2-(dimethylamino)ethyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157854
3-[4-(2,4-dichlorophenyl)butyl]imidazolidine-2,4-dione
CID 99797531
3-[(2-amino-4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 62100916

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-propyl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 7-chloro-1-propyl-3,4-dihydroquinoxalin-2-one (CID 84624682) is 7-chloro-1-propyl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 7-chloro-1-propyl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 7-chloro-1-propyl-3,4-dihydroquinoxalin-2-one is CCCN1C(=O)CNc2ccc(Cl)cc21.
What is the InChIKey of 7-chloro-1-propyl-3,4-dihydroquinoxalin-2-one?
The InChIKey is AXXYONGDOXRTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-2-5-14-10-6-8(12)3-4-9(10)13-7-11(14)15/h3-4,6,13H,2,5,7H2,1H3.
What are the key properties of 7-chloro-1-propyl-3,4-dihydroquinoxalin-2-one?
7-chloro-1-propyl-3,4-dihydroquinoxalin-2-one has a molecular weight of 224.69 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-propyl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 84624682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).