6-[6-methyl-5-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]quinoline

C23H21N — CID 173119275

IUPAC6-[6-methyl-5-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]quinoline
SMILESCC1=C(c2ccc(C)cc2)CCC=C1c1ccc2ncccc2c1
InChIInChI=1S/C23H21N/c1-16-8-10-18(11-9-16)21-6-3-7-22(17(21)2)19-12-13-23-20(15-19)5-4-14-24-23/h4-5,7-15H,3,6H2,1-2H3
InChIKeyZCFXBCIBHXRMAV-UHFFFAOYSA-N
MW311.43 g/mol
LogP6.19
Rot. Bonds2

About 6-[6-methyl-5-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]quinoline

6-[6-methyl-5-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]quinoline (PubChem CID 173119275) has the molecular formula C23H21N and a molecular weight of 311.43 g/mol. Its IUPAC name is 6-[6-methyl-5-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]quinoline.

Molecular Properties

Compound Name6-[6-methyl-5-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]quinoline
PubChem CID173119275
Molecular FormulaC23H21N
Molecular Weight311.43 g/mol
Exact Mass311.17
IUPAC Name6-[6-methyl-5-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]quinoline
SMILESCC1=C(c2ccc(C)cc2)CCC=C1c1ccc2ncccc2c1
InChIInChI=1S/C23H21N/c1-16-8-10-18(11-9-16)21-6-3-7-22(17(21)2)19-12-13-23-20(15-19)5-4-14-24-23/h4-5,7-15H,3,6H2,1-2H3
InChIKeyZCFXBCIBHXRMAV-UHFFFAOYSA-N
XLogP6.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.43
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-[6-methyl-5-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]quinoline?
The IUPAC name of 6-[6-methyl-5-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]quinoline (CID 173119275) is 6-[6-methyl-5-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]quinoline.
What is the SMILES notation for 6-[6-methyl-5-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]quinoline?
The canonical SMILES for 6-[6-methyl-5-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]quinoline is CC1=C(c2ccc(C)cc2)CCC=C1c1ccc2ncccc2c1.
What is the InChIKey of 6-[6-methyl-5-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]quinoline?
The InChIKey is ZCFXBCIBHXRMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N/c1-16-8-10-18(11-9-16)21-6-3-7-22(17(21)2)19-12-13-23-20(15-19)5-4-14-24-23/h4-5,7-15H,3,6H2,1-2H3.
What are the key properties of 6-[6-methyl-5-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]quinoline?
6-[6-methyl-5-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]quinoline has a molecular weight of 311.43 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-methyl-5-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]quinoline is sourced from PubChem (CID 173119275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).