6-[2-(3-cyclopropylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-1,2,3,4-tetrahydroquinoxaline

C24H26N2 — CID 144943706

IUPAC6-[2-(3-cyclopropylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-1,2,3,4-tetrahydroquinoxaline
SMILESCC1C=CC(c2ccc3c(c2)NCCN3)=C(c2cccc(C3CC3)c2)C1
InChIInChI=1S/C24H26N2/c1-16-5-9-21(20-8-10-23-24(15-20)26-12-11-25-23)22(13-16)19-4-2-3-18(14-19)17-6-7-17/h2-5,8-10,14-17,25-26H,6-7,11-13H2,1H3
InChIKeyFWVBLCYVQFGLJN-UHFFFAOYSA-N
MW342.49 g/mol
LogP5.91
Rot. Bonds3

About 6-[2-(3-cyclopropylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-1,2,3,4-tetrahydroquinoxaline

6-[2-(3-cyclopropylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-1,2,3,4-tetrahydroquinoxaline (PubChem CID 144943706) has the molecular formula C24H26N2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 6-[2-(3-cyclopropylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name6-[2-(3-cyclopropylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-1,2,3,4-tetrahydroquinoxaline
PubChem CID144943706
Molecular FormulaC24H26N2
Molecular Weight342.49 g/mol
Exact Mass342.21
IUPAC Name6-[2-(3-cyclopropylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-1,2,3,4-tetrahydroquinoxaline
SMILESCC1C=CC(c2ccc3c(c2)NCCN3)=C(c2cccc(C3CC3)c2)C1
InChIInChI=1S/C24H26N2/c1-16-5-9-21(20-8-10-23-24(15-20)26-12-11-25-23)22(13-16)19-4-2-3-18(14-19)17-6-7-17/h2-5,8-10,14-17,25-26H,6-7,11-13H2,1H3
InChIKeyFWVBLCYVQFGLJN-UHFFFAOYSA-N
XLogP5.91
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.49
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-cyclopropylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of 6-[2-(3-cyclopropylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-1,2,3,4-tetrahydroquinoxaline (CID 144943706) is 6-[2-(3-cyclopropylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for 6-[2-(3-cyclopropylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for 6-[2-(3-cyclopropylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-1,2,3,4-tetrahydroquinoxaline is CC1C=CC(c2ccc3c(c2)NCCN3)=C(c2cccc(C3CC3)c2)C1.
What is the InChIKey of 6-[2-(3-cyclopropylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is FWVBLCYVQFGLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2/c1-16-5-9-21(20-8-10-23-24(15-20)26-12-11-25-23)22(13-16)19-4-2-3-18(14-19)17-6-7-17/h2-5,8-10,14-17,25-26H,6-7,11-13H2,1H3.
What are the key properties of 6-[2-(3-cyclopropylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-1,2,3,4-tetrahydroquinoxaline?
6-[2-(3-cyclopropylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 342.49 g/mol, XLogP of 5.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-cyclopropylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 144943706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).