7-fluoro-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one

C13H13FN2O3 — CID 167850019

IUPAC7-fluoro-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)C2CCCO2)c2ccc(F)cc2N1
InChIInChI=1S/C13H13FN2O3/c14-8-3-4-10-9(6-8)15-12(17)7-16(10)13(18)11-2-1-5-19-11/h3-4,6,11H,1-2,5,7H2,(H,15,17)
InChIKeyWIZUBCBWTQUPJZ-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.29
Rot. Bonds1

About 7-fluoro-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one

7-fluoro-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 167850019) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is 7-fluoro-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name7-fluoro-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID167850019
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name7-fluoro-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)C2CCCO2)c2ccc(F)cc2N1
InChIInChI=1S/C13H13FN2O3/c14-8-3-4-10-9(6-8)15-12(17)7-16(10)13(18)11-2-1-5-19-11/h3-4,6,11H,1-2,5,7H2,(H,15,17)
InChIKeyWIZUBCBWTQUPJZ-UHFFFAOYSA-N
XLogP1.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 167847220
(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-[(2R)-oxolan-2-yl]methanone
CID 96500959
[4-(4-fluorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 3513759
4-(oxane-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 65365324
(3,9-difluoro-8-piperidin-1-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)-(oxan-2-yl)methanone
CID 155072493
3-methyl-4-(oxolane-2-carbonyl)piperazine-2,6-dione
CID 66063083
3-methyl-4-[(2R)-oxolane-2-carbonyl]piperazine-2,6-dione
CID 104856137
2-(4-fluorophenyl)-1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110797537
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
CID 113004957
(3-fluoro-8-piperidin-1-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)-(oxan-2-yl)methanone
CID 129102555
4-(3-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 3159804
[4-(2-fluorophenyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 40572583

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 7-fluoro-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one (CID 167850019) is 7-fluoro-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 7-fluoro-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 7-fluoro-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)C2CCCO2)c2ccc(F)cc2N1.
What is the InChIKey of 7-fluoro-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is WIZUBCBWTQUPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c14-8-3-4-10-9(6-8)15-12(17)7-16(10)13(18)11-2-1-5-19-11/h3-4,6,11H,1-2,5,7H2,(H,15,17).
What are the key properties of 7-fluoro-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
7-fluoro-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 264.26 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 167850019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).