4-(cyclopropanecarbonyl)-1,3-dihydroquinoxalin-2-one

C12H12N2O2 — CID 2457243

IUPAC4-(cyclopropanecarbonyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)C2CC2)c2ccccc2N1
InChIInChI=1S/C12H12N2O2/c15-11-7-14(12(16)8-5-6-8)10-4-2-1-3-9(10)13-11/h1-4,8H,5-7H2,(H,13,15)
InChIKeyQFZLYKRROQBLIH-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.38
Rot. Bonds1

About 4-(cyclopropanecarbonyl)-1,3-dihydroquinoxalin-2-one

4-(cyclopropanecarbonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 2457243) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID2457243
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name4-(cyclopropanecarbonyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)C2CC2)c2ccccc2N1
InChIInChI=1S/C12H12N2O2/c15-11-7-14(12(16)8-5-6-8)10-4-2-1-3-9(10)13-11/h1-4,8H,5-7H2,(H,13,15)
InChIKeyQFZLYKRROQBLIH-UHFFFAOYSA-N
XLogP1.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dihydroxyquinoxaline
CID 27491
Opaviraline
CID 154048
4-Propanoyl-1,2,3,4-tetrahydroquinoxalin-2-one
CID 8551010
2-(3-Oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-N-phenylacetamide
CID 2829724
1,4-Dimethylquinoxaline-2,3-dione
CID 351421
2(1H)-Quinoxalinone, 3,4-dihydro-
CID 185949
Quinoxalinone deriv. 6a
CID 5327791
3-(2-Cyclopropylethynyl)-4-(prop-2-en-1-yl)-3-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxalin-2-one
CID 5327792
Quinoxalinone deriv. 6d
CID 5327794
Quinoxalinone deriv. 6e
CID 5327795
Quinoxalinone deriv. 6f
CID 5327796
Quinoxalinone deriv. 6g
CID 5327797

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(cyclopropanecarbonyl)-1,3-dihydroquinoxalin-2-one (CID 2457243) is 4-(cyclopropanecarbonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(cyclopropanecarbonyl)-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)C2CC2)c2ccccc2N1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is QFZLYKRROQBLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-11-7-14(12(16)8-5-6-8)10-4-2-1-3-9(10)13-11/h1-4,8H,5-7H2,(H,13,15).
What are the key properties of 4-(cyclopropanecarbonyl)-1,3-dihydroquinoxalin-2-one?
4-(cyclopropanecarbonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 216.24 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 2457243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).