3-(4-ethylphenyl)-2-phenylquinoxalin-5-ol

C22H18N2O — CID 136657429

IUPAC3-(4-ethylphenyl)-2-phenylquinoxalin-5-ol
SMILESCCc1ccc(-c2nc3c(O)cccc3nc2-c2ccccc2)cc1
InChIInChI=1S/C22H18N2O/c1-2-15-11-13-17(14-12-15)21-20(16-7-4-3-5-8-16)23-18-9-6-10-19(25)22(18)24-21/h3-14,25H,2H2,1H3
InChIKeyGBDCIFZTHZWFHP-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.23
Rot. Bonds3

About 3-(4-ethylphenyl)-2-phenylquinoxalin-5-ol

3-(4-ethylphenyl)-2-phenylquinoxalin-5-ol (PubChem CID 136657429) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-2-phenylquinoxalin-5-ol.

Molecular Properties

Compound Name3-(4-ethylphenyl)-2-phenylquinoxalin-5-ol
PubChem CID136657429
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name3-(4-ethylphenyl)-2-phenylquinoxalin-5-ol
SMILESCCc1ccc(-c2nc3c(O)cccc3nc2-c2ccccc2)cc1
InChIInChI=1S/C22H18N2O/c1-2-15-11-13-17(14-12-15)21-20(16-7-4-3-5-8-16)23-18-9-6-10-19(25)22(18)24-21/h3-14,25H,2H2,1H3
InChIKeyGBDCIFZTHZWFHP-UHFFFAOYSA-N
XLogP5.23
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(8-amino-3-phenylquinoxalin-2-yl)phenol
CID 141415206
3-[4-(aminomethyl)phenyl]-6-bromo-2-phenylquinoxalin-5-ol
CID 136649032
N-[4-[3-(4-ethylphenyl)-8-(4-phenylphenyl)quinoxalin-2-yl]phenyl]-N-phenyl-9H-carbazol-3-amine
CID 143543257
3-[4-(aminomethyl)phenyl]-6-(6-methoxy-3-pyridinyl)-2-phenylquinoxalin-5-ol
CID 135934868
2-(4-ethylphenyl)-3-(4-fluorophenyl)benzo[g]quinoxaline;4-[3-(4-methoxyphenyl)benzo[g]quinoxalin-2-yl]phenol
CID 177047062
4-(4-ethylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline
CID 67701288
4-[3-ethyl-5-(trifluoromethyl)quinoxalin-2-yl]phenol
CID 135923339
4-N-[4-[5-tert-butyl-3-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]quinoxalin-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59259732
4-N-[4-(3,8-diphenylquinoxalin-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59259780
ethane;1-ethyl-4-phenylbenzene;methane
CID 142852812
acetylene;1-ethyl-4-phenylbenzene
CID 175126841
2-[4-(2-methylbutan-2-yl)phenyl]-3-phenylquinoxaline
CID 142492990

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-2-phenylquinoxalin-5-ol?
The IUPAC name of 3-(4-ethylphenyl)-2-phenylquinoxalin-5-ol (CID 136657429) is 3-(4-ethylphenyl)-2-phenylquinoxalin-5-ol.
What is the SMILES notation for 3-(4-ethylphenyl)-2-phenylquinoxalin-5-ol?
The canonical SMILES for 3-(4-ethylphenyl)-2-phenylquinoxalin-5-ol is CCc1ccc(-c2nc3c(O)cccc3nc2-c2ccccc2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-2-phenylquinoxalin-5-ol?
The InChIKey is GBDCIFZTHZWFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-2-15-11-13-17(14-12-15)21-20(16-7-4-3-5-8-16)23-18-9-6-10-19(25)22(18)24-21/h3-14,25H,2H2,1H3.
What are the key properties of 3-(4-ethylphenyl)-2-phenylquinoxalin-5-ol?
3-(4-ethylphenyl)-2-phenylquinoxalin-5-ol has a molecular weight of 326.40 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-2-phenylquinoxalin-5-ol is sourced from PubChem (CID 136657429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).