1-(2,3-dihydroxypropyl)-3-ethyl-6,7-difluoro-3,4-dihydroquinoxalin-2-one

C13H16F2N2O3 — CID 82157579

IUPAC1-(2,3-dihydroxypropyl)-3-ethyl-6,7-difluoro-3,4-dihydroquinoxalin-2-one
SMILESCCC1Nc2cc(F)c(F)cc2N(CC(O)CO)C1=O
InChIInChI=1S/C13H16F2N2O3/c1-2-10-13(20)17(5-7(19)6-18)12-4-9(15)8(14)3-11(12)16-10/h3-4,7,10,16,18-19H,2,5-6H2,1H3
InChIKeyDNKWZCNYJXMIDO-UHFFFAOYSA-N
MW286.28 g/mol
LogP0.86
Rot. Bonds4

About 1-(2,3-dihydroxypropyl)-3-ethyl-6,7-difluoro-3,4-dihydroquinoxalin-2-one

1-(2,3-dihydroxypropyl)-3-ethyl-6,7-difluoro-3,4-dihydroquinoxalin-2-one (PubChem CID 82157579) has the molecular formula C13H16F2N2O3 and a molecular weight of 286.28 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropyl)-3-ethyl-6,7-difluoro-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name1-(2,3-dihydroxypropyl)-3-ethyl-6,7-difluoro-3,4-dihydroquinoxalin-2-one
PubChem CID82157579
Molecular FormulaC13H16F2N2O3
Molecular Weight286.28 g/mol
Exact Mass286.11
IUPAC Name1-(2,3-dihydroxypropyl)-3-ethyl-6,7-difluoro-3,4-dihydroquinoxalin-2-one
SMILESCCC1Nc2cc(F)c(F)cc2N(CC(O)CO)C1=O
InChIInChI=1S/C13H16F2N2O3/c1-2-10-13(20)17(5-7(19)6-18)12-4-9(15)8(14)3-11(12)16-10/h3-4,7,10,16,18-19H,2,5-6H2,1H3
InChIKeyDNKWZCNYJXMIDO-UHFFFAOYSA-N
XLogP0.86
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-6,7-dimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one
CID 82157237
2-(3-ethyl-6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid
CID 82157563
6,7-dichloro-1-(2,3-dihydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one
CID 82157674
6,7-difluoro-1-(3-hydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one
CID 82157531
3-ethyl-6,7-difluoro-3,4-dihydro-1H-quinoxalin-2-one
CID 82156858
5-ethyl-3-[(2S)-2-hydroxypropyl]imidazolidine-2,4-dione
CID 131041674
3-ethyl-6,7-dimethyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one
CID 82157226
6,7-difluoro-3-methyl-1-nonyl-3,4-dihydroquinoxalin-2-one
CID 82157533
3-ethyl-1-hexyl-6,7-dimethyl-3,4-dihydroquinoxalin-2-one
CID 82157230
2-(7-ethyl-6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-5-yl)acetic acid
CID 82157911
7-ethyl-5-propyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157916
8-ethyl-6-(2-methylprop-2-enyl)-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one
CID 82157756

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxypropyl)-3-ethyl-6,7-difluoro-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 1-(2,3-dihydroxypropyl)-3-ethyl-6,7-difluoro-3,4-dihydroquinoxalin-2-one (CID 82157579) is 1-(2,3-dihydroxypropyl)-3-ethyl-6,7-difluoro-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 1-(2,3-dihydroxypropyl)-3-ethyl-6,7-difluoro-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 1-(2,3-dihydroxypropyl)-3-ethyl-6,7-difluoro-3,4-dihydroquinoxalin-2-one is CCC1Nc2cc(F)c(F)cc2N(CC(O)CO)C1=O.
What is the InChIKey of 1-(2,3-dihydroxypropyl)-3-ethyl-6,7-difluoro-3,4-dihydroquinoxalin-2-one?
The InChIKey is DNKWZCNYJXMIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3/c1-2-10-13(20)17(5-7(19)6-18)12-4-9(15)8(14)3-11(12)16-10/h3-4,7,10,16,18-19H,2,5-6H2,1H3.
What are the key properties of 1-(2,3-dihydroxypropyl)-3-ethyl-6,7-difluoro-3,4-dihydroquinoxalin-2-one?
1-(2,3-dihydroxypropyl)-3-ethyl-6,7-difluoro-3,4-dihydroquinoxalin-2-one has a molecular weight of 286.28 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxypropyl)-3-ethyl-6,7-difluoro-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 82157579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).