2,3-bis(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinoxaline

C24H28N2 — CID 102080397

IUPAC2,3-bis(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinoxaline
SMILESc1ccc(CCC2=NC3CCCCC3N=C2CCc2ccccc2)cc1
InChIInChI=1S/C24H28N2/c1-3-9-19(10-4-1)15-17-23-24(18-16-20-11-5-2-6-12-20)26-22-14-8-7-13-21(22)25-23/h1-6,9-12,21-22H,7-8,13-18H2
InChIKeyBSNYHKZFRQCROO-UHFFFAOYSA-N
MW344.50 g/mol
LogP5.46
Rot. Bonds6

About 2,3-bis(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinoxaline

2,3-bis(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinoxaline (PubChem CID 102080397) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 2,3-bis(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinoxaline.

Molecular Properties

Compound Name2,3-bis(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinoxaline
PubChem CID102080397
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC Name2,3-bis(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinoxaline
SMILESc1ccc(CCC2=NC3CCCCC3N=C2CCc2ccccc2)cc1
InChIInChI=1S/C24H28N2/c1-3-9-19(10-4-1)15-17-23-24(18-16-20-11-5-2-6-12-20)26-22-14-8-7-13-21(22)25-23/h1-6,9-12,21-22H,7-8,13-18H2
InChIKeyBSNYHKZFRQCROO-UHFFFAOYSA-N
XLogP5.46
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(2-hydroxyphenyl)-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinazolin-4-one
CID 135964374
2-(3-chlorocyclohexen-1-yl)ethylbenzene
CID 65177340
CID 11402379
CID 11402379
3,3-dicyclohexylpropylbenzene
CID 86671113
3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline chloride
CID 53352547
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CID 158652330

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinoxaline?
The IUPAC name of 2,3-bis(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinoxaline (CID 102080397) is 2,3-bis(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinoxaline.
What is the SMILES notation for 2,3-bis(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinoxaline?
The canonical SMILES for 2,3-bis(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinoxaline is c1ccc(CCC2=NC3CCCCC3N=C2CCc2ccccc2)cc1.
What is the InChIKey of 2,3-bis(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinoxaline?
The InChIKey is BSNYHKZFRQCROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2/c1-3-9-19(10-4-1)15-17-23-24(18-16-20-11-5-2-6-12-20)26-22-14-8-7-13-21(22)25-23/h1-6,9-12,21-22H,7-8,13-18H2.
What are the key properties of 2,3-bis(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinoxaline?
2,3-bis(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinoxaline has a molecular weight of 344.50 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinoxaline is sourced from PubChem (CID 102080397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).