1-(5-chloro-2-hydroxyphenyl)-3,4-dihydroxy-6-(trifluoromethyl)-3H-quinoxalin-2-one

C15H10ClF3N2O4 — CID 67784805

IUPAC1-(5-chloro-2-hydroxyphenyl)-3,4-dihydroxy-6-(trifluoromethyl)-3H-quinoxalin-2-one
SMILESO=C1C(O)N(O)c2cc(C(F)(F)F)ccc2N1c1cc(Cl)ccc1O
InChIInChI=1S/C15H10ClF3N2O4/c16-8-2-4-12(22)11(6-8)20-9-3-1-7(15(17,18)19)5-10(9)21(25)14(24)13(20)23/h1-6,14,22,24-25H
InChIKeyOQVFBPSTKSLEIK-UHFFFAOYSA-N
MW374.70 g/mol
LogP3.26
Rot. Bonds1

About 1-(5-chloro-2-hydroxyphenyl)-3,4-dihydroxy-6-(trifluoromethyl)-3H-quinoxalin-2-one

1-(5-chloro-2-hydroxyphenyl)-3,4-dihydroxy-6-(trifluoromethyl)-3H-quinoxalin-2-one (PubChem CID 67784805) has the molecular formula C15H10ClF3N2O4 and a molecular weight of 374.70 g/mol. Its IUPAC name is 1-(5-chloro-2-hydroxyphenyl)-3,4-dihydroxy-6-(trifluoromethyl)-3H-quinoxalin-2-one.

Molecular Properties

Compound Name1-(5-chloro-2-hydroxyphenyl)-3,4-dihydroxy-6-(trifluoromethyl)-3H-quinoxalin-2-one
PubChem CID67784805
Molecular FormulaC15H10ClF3N2O4
Molecular Weight374.70 g/mol
Exact Mass374.03
IUPAC Name1-(5-chloro-2-hydroxyphenyl)-3,4-dihydroxy-6-(trifluoromethyl)-3H-quinoxalin-2-one
SMILESO=C1C(O)N(O)c2cc(C(F)(F)F)ccc2N1c1cc(Cl)ccc1O
InChIInChI=1S/C15H10ClF3N2O4/c16-8-2-4-12(22)11(6-8)20-9-3-1-7(15(17,18)19)5-10(9)21(25)14(24)13(20)23/h1-6,14,22,24-25H
InChIKeyOQVFBPSTKSLEIK-UHFFFAOYSA-N
XLogP3.26
TPSA84.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.70
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-3,4-dihydroxy-6-(trifluoromethyl)-3H-quinoxalin-2-one?
The IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-3,4-dihydroxy-6-(trifluoromethyl)-3H-quinoxalin-2-one (CID 67784805) is 1-(5-chloro-2-hydroxyphenyl)-3,4-dihydroxy-6-(trifluoromethyl)-3H-quinoxalin-2-one.
What is the SMILES notation for 1-(5-chloro-2-hydroxyphenyl)-3,4-dihydroxy-6-(trifluoromethyl)-3H-quinoxalin-2-one?
The canonical SMILES for 1-(5-chloro-2-hydroxyphenyl)-3,4-dihydroxy-6-(trifluoromethyl)-3H-quinoxalin-2-one is O=C1C(O)N(O)c2cc(C(F)(F)F)ccc2N1c1cc(Cl)ccc1O.
What is the InChIKey of 1-(5-chloro-2-hydroxyphenyl)-3,4-dihydroxy-6-(trifluoromethyl)-3H-quinoxalin-2-one?
The InChIKey is OQVFBPSTKSLEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2O4/c16-8-2-4-12(22)11(6-8)20-9-3-1-7(15(17,18)19)5-10(9)21(25)14(24)13(20)23/h1-6,14,22,24-25H.
What are the key properties of 1-(5-chloro-2-hydroxyphenyl)-3,4-dihydroxy-6-(trifluoromethyl)-3H-quinoxalin-2-one?
1-(5-chloro-2-hydroxyphenyl)-3,4-dihydroxy-6-(trifluoromethyl)-3H-quinoxalin-2-one has a molecular weight of 374.70 g/mol, XLogP of 3.26, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-hydroxyphenyl)-3,4-dihydroxy-6-(trifluoromethyl)-3H-quinoxalin-2-one is sourced from PubChem (CID 67784805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).