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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Related Compounds

1-[2,5-bis(trifluoromethyl)phenyl]-7-chloro-5-(4-hydroxyphenyl)-3-methyl-3,4-dihydro-1,5-benzodiazepin-2-one
CID 11540836
(15S,19R)-17-(5-chloro-2-hydroxyphenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 1217273
1-[3,5-bis(trifluoromethyl)phenyl]-7-chloro-5-(4-hydroxyphenyl)-3-methyl-3,4-dihydro-1,5-benzodiazepin-2-one
CID 11519154
(3aS,5S,6R,7aR)-5,6-dibromo-2-(5-chloro-2-hydroxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 100807758
3-(5-chloro-2-methoxyphenyl)-1-methyl-6-(trifluoromethyl)-3H-indol-2-one
CID 163926560
(1S,2R,6R,7R,8R,9R)-8,9-dibromo-4-(5-chloro-2-hydroxyphenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 100807755
3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-ol
CID 142959193
3-(4-chloro-2-hydroxyphenyl)-3-hydroxy-1-methyl-6-(trifluoromethyl)indol-2-one
CID 102119601
2-chloro-4-(trifluoromethyl)phenol
CID 2736603
2-(5-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 777395
6-(5-chloro-2-hydroxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
CID 23938408
(3S)-3-(5-chloro-2-hydroxyphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one
CID 122490665

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).