4-methyl-6-[1-(4-methylphenyl)prop-2-enyl]-3-phenylquinoline

C26H23N — CID 146232086

IUPAC4-methyl-6-[1-(4-methylphenyl)prop-2-enyl]-3-phenylquinoline
SMILESC=CC(c1ccc(C)cc1)c1ccc2ncc(-c3ccccc3)c(C)c2c1
InChIInChI=1S/C26H23N/c1-4-23(21-12-10-18(2)11-13-21)22-14-15-26-24(16-22)19(3)25(17-27-26)20-8-6-5-7-9-20/h4-17,23H,1H2,2-3H3
InChIKeyKJSKUGXFRBUQTE-UHFFFAOYSA-N
MW349.48 g/mol
LogP6.84
Rot. Bonds4

About 4-methyl-6-[1-(4-methylphenyl)prop-2-enyl]-3-phenylquinoline

4-methyl-6-[1-(4-methylphenyl)prop-2-enyl]-3-phenylquinoline (PubChem CID 146232086) has the molecular formula C26H23N and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-methyl-6-[1-(4-methylphenyl)prop-2-enyl]-3-phenylquinoline.

Molecular Properties

Compound Name4-methyl-6-[1-(4-methylphenyl)prop-2-enyl]-3-phenylquinoline
PubChem CID146232086
Molecular FormulaC26H23N
Molecular Weight349.48 g/mol
Exact Mass349.18
IUPAC Name4-methyl-6-[1-(4-methylphenyl)prop-2-enyl]-3-phenylquinoline
SMILESC=CC(c1ccc(C)cc1)c1ccc2ncc(-c3ccccc3)c(C)c2c1
InChIInChI=1S/C26H23N/c1-4-23(21-12-10-18(2)11-13-21)22-14-15-26-24(16-22)19(3)25(17-27-26)20-8-6-5-7-9-20/h4-17,23H,1H2,2-3H3
InChIKeyKJSKUGXFRBUQTE-UHFFFAOYSA-N
XLogP6.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[1-(4-methylphenyl)prop-2-enyl]-3-phenylquinoline?
The IUPAC name of 4-methyl-6-[1-(4-methylphenyl)prop-2-enyl]-3-phenylquinoline (CID 146232086) is 4-methyl-6-[1-(4-methylphenyl)prop-2-enyl]-3-phenylquinoline.
What is the SMILES notation for 4-methyl-6-[1-(4-methylphenyl)prop-2-enyl]-3-phenylquinoline?
The canonical SMILES for 4-methyl-6-[1-(4-methylphenyl)prop-2-enyl]-3-phenylquinoline is C=CC(c1ccc(C)cc1)c1ccc2ncc(-c3ccccc3)c(C)c2c1.
What is the InChIKey of 4-methyl-6-[1-(4-methylphenyl)prop-2-enyl]-3-phenylquinoline?
The InChIKey is KJSKUGXFRBUQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N/c1-4-23(21-12-10-18(2)11-13-21)22-14-15-26-24(16-22)19(3)25(17-27-26)20-8-6-5-7-9-20/h4-17,23H,1H2,2-3H3.
What are the key properties of 4-methyl-6-[1-(4-methylphenyl)prop-2-enyl]-3-phenylquinoline?
4-methyl-6-[1-(4-methylphenyl)prop-2-enyl]-3-phenylquinoline has a molecular weight of 349.48 g/mol, XLogP of 6.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[1-(4-methylphenyl)prop-2-enyl]-3-phenylquinoline is sourced from PubChem (CID 146232086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).