7-chloro-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one

C11H13ClN2O — CID 15337291

IUPAC7-chloro-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one
SMILESCC(C)C1Nc2ccc(Cl)cc2NC1=O
InChIInChI=1S/C11H13ClN2O/c1-6(2)10-11(15)14-9-5-7(12)3-4-8(9)13-10/h3-6,10,13H,1-2H3,(H,14,15)
InChIKeyJAPONFFVJBBUMD-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.73
Rot. Bonds1

About 7-chloro-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one

7-chloro-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 15337291) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 7-chloro-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-chloro-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID15337291
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name7-chloro-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one
SMILESCC(C)C1Nc2ccc(Cl)cc2NC1=O
InChIInChI=1S/C11H13ClN2O/c1-6(2)10-11(15)14-9-5-7(12)3-4-8(9)13-10/h3-6,10,13H,1-2H3,(H,14,15)
InChIKeyJAPONFFVJBBUMD-UHFFFAOYSA-N
XLogP2.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 7-chloro-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one (CID 15337291) is 7-chloro-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 7-chloro-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 7-chloro-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one is CC(C)C1Nc2ccc(Cl)cc2NC1=O.
What is the InChIKey of 7-chloro-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is JAPONFFVJBBUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-6(2)10-11(15)14-9-5-7(12)3-4-8(9)13-10/h3-6,10,13H,1-2H3,(H,14,15).
What are the key properties of 7-chloro-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one?
7-chloro-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 224.69 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 15337291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).