6,7-dimethyl-2-(2-methylpropyl)-3-phenylquinoxaline

C20H22N2 — CID 141430614

IUPAC6,7-dimethyl-2-(2-methylpropyl)-3-phenylquinoxaline
SMILESCc1cc2nc(CC(C)C)c(-c3ccccc3)nc2cc1C
InChIInChI=1S/C20H22N2/c1-13(2)10-19-20(16-8-6-5-7-9-16)22-18-12-15(4)14(3)11-17(18)21-19/h5-9,11-13H,10H2,1-4H3
InChIKeyFRGLEPOQTJBLMA-UHFFFAOYSA-N
MW290.41 g/mol
LogP5.11
Rot. Bonds3

About 6,7-dimethyl-2-(2-methylpropyl)-3-phenylquinoxaline

6,7-dimethyl-2-(2-methylpropyl)-3-phenylquinoxaline (PubChem CID 141430614) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 6,7-dimethyl-2-(2-methylpropyl)-3-phenylquinoxaline.

Molecular Properties

Compound Name6,7-dimethyl-2-(2-methylpropyl)-3-phenylquinoxaline
PubChem CID141430614
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name6,7-dimethyl-2-(2-methylpropyl)-3-phenylquinoxaline
SMILESCc1cc2nc(CC(C)C)c(-c3ccccc3)nc2cc1C
InChIInChI=1S/C20H22N2/c1-13(2)10-19-20(16-8-6-5-7-9-16)22-18-12-15(4)14(3)11-17(18)21-19/h5-9,11-13H,10H2,1-4H3
InChIKeyFRGLEPOQTJBLMA-UHFFFAOYSA-N
XLogP5.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6,7-dimethyl-3-phenylquinoxalin-2-yl)-N,N-dimethylmethanamine
CID 10851136
2-(3,5-dimethylphenyl)-3-(2-methylpropyl)quinoxaline
CID 140872725
2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline
CID 58299261
2-[3,5-bis(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline
CID 18504282
6,7-dimethyl-2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline
CID 71729476
5-methyl-2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline
CID 10006180
6,7-dimethoxy-2,3-diphenylquinoxaline
CID 1236458
2-[5-methyl-2-(2-methylpropyl)-7-phenyl-1,3-benzothiazol-6-yl]acetaldehyde
CID 129273315
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-6,7-dimethyl-3-phenylquinoxaline
CID 132522555
6,7-dichloro-2-[(2-chlorophenyl)methyl]-3-phenylquinoxaline
CID 139225987
iridium;3-methyl-2-phenylquinoline
CID 174474394
2-(6,7-dimethoxy-3-phenylquinoxalin-2-yl)ethyl formate
CID 175112287

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-(2-methylpropyl)-3-phenylquinoxaline?
The IUPAC name of 6,7-dimethyl-2-(2-methylpropyl)-3-phenylquinoxaline (CID 141430614) is 6,7-dimethyl-2-(2-methylpropyl)-3-phenylquinoxaline.
What is the SMILES notation for 6,7-dimethyl-2-(2-methylpropyl)-3-phenylquinoxaline?
The canonical SMILES for 6,7-dimethyl-2-(2-methylpropyl)-3-phenylquinoxaline is Cc1cc2nc(CC(C)C)c(-c3ccccc3)nc2cc1C.
What is the InChIKey of 6,7-dimethyl-2-(2-methylpropyl)-3-phenylquinoxaline?
The InChIKey is FRGLEPOQTJBLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-13(2)10-19-20(16-8-6-5-7-9-16)22-18-12-15(4)14(3)11-17(18)21-19/h5-9,11-13H,10H2,1-4H3.
What are the key properties of 6,7-dimethyl-2-(2-methylpropyl)-3-phenylquinoxaline?
6,7-dimethyl-2-(2-methylpropyl)-3-phenylquinoxaline has a molecular weight of 290.41 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-(2-methylpropyl)-3-phenylquinoxaline is sourced from PubChem (CID 141430614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).