7-chloro-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one

C11H13ClN2O — CID 115095619

IUPAC7-chloro-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one
SMILESCCN1c2ccc(Cl)cc2NC(=O)C1C
InChIInChI=1S/C11H13ClN2O/c1-3-14-7(2)11(15)13-9-6-8(12)4-5-10(9)14/h4-7H,3H2,1-2H3,(H,13,15)
InChIKeyBSPXQANRBWQJHI-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.51
Rot. Bonds1

About 7-chloro-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one

7-chloro-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one (PubChem CID 115095619) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 7-chloro-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name7-chloro-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one
PubChem CID115095619
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name7-chloro-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one
SMILESCCN1c2ccc(Cl)cc2NC(=O)C1C
InChIInChI=1S/C11H13ClN2O/c1-3-14-7(2)11(15)13-9-6-8(12)4-5-10(9)14/h4-7H,3H2,1-2H3,(H,13,15)
InChIKeyBSPXQANRBWQJHI-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

6-bromo-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one
CID 115095687
(3S)-4-(2,4-dichlorobenzoyl)-3-methyl-7-methylsulfonyl-1,3-dihydroquinoxalin-2-one
CID 24730378
7-chloro-10-methyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one
CID 79295779
(3R)-7-chloro-4-hydroxy-3,5-dimethyl-5-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 59914970
methyl 5-chloro-3-[(6-chloro-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]thiophene-2-carboxylate
CID 122402654
(3S)-4-(3,5-dichlorophenyl)-3-methyl-1,3-dihydroquinoxalin-2-one
CID 132603334
6-chloro-1,3-dimethyl-3,4-dihydroquinoxalin-2-one
CID 83509943
7-chloro-4-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-3-propan-2-yl-1,3-dihydroquinoxalin-2-one
CID 167948445
3-(aminomethyl)-6-chloro-4-methyl-1,3-dihydroquinoxalin-2-one
CID 84624971
1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64965252
6-chloro-1-oxido-2,4-dihydro-1,2,4-benzotriazin-3-one
CID 173017284
3-chloro-5,6a,7,8,8a,9,10,11,12,12a-decahydroquinolino[1,2-a]quinoxalin-6-one
CID 79269862

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 7-chloro-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one (CID 115095619) is 7-chloro-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 7-chloro-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 7-chloro-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one is CCN1c2ccc(Cl)cc2NC(=O)C1C.
What is the InChIKey of 7-chloro-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is BSPXQANRBWQJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-3-14-7(2)11(15)13-9-6-8(12)4-5-10(9)14/h4-7H,3H2,1-2H3,(H,13,15).
What are the key properties of 7-chloro-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one?
7-chloro-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 224.69 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 115095619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).