2-(5-methylhex-5-enyl)-3-phenyl-7-prop-1-en-2-ylquinoline

C25H27N — CID 126659277

IUPAC2-(5-methylhex-5-enyl)-3-phenyl-7-prop-1-en-2-ylquinoline
SMILESC=C(C)CCCCc1nc2cc(C(=C)C)ccc2cc1-c1ccccc1
InChIInChI=1S/C25H27N/c1-18(2)10-8-9-13-24-23(20-11-6-5-7-12-20)16-22-15-14-21(19(3)4)17-25(22)26-24/h5-7,11-12,14-17H,1,3,8-10,13H2,2,4H3
InChIKeyLCMFCHFDWGSURX-UHFFFAOYSA-N
MW341.50 g/mol
LogP7.22
Rot. Bonds7

About 2-(5-methylhex-5-enyl)-3-phenyl-7-prop-1-en-2-ylquinoline

2-(5-methylhex-5-enyl)-3-phenyl-7-prop-1-en-2-ylquinoline (PubChem CID 126659277) has the molecular formula C25H27N and a molecular weight of 341.50 g/mol. Its IUPAC name is 2-(5-methylhex-5-enyl)-3-phenyl-7-prop-1-en-2-ylquinoline.

Molecular Properties

Compound Name2-(5-methylhex-5-enyl)-3-phenyl-7-prop-1-en-2-ylquinoline
PubChem CID126659277
Molecular FormulaC25H27N
Molecular Weight341.50 g/mol
Exact Mass341.21
IUPAC Name2-(5-methylhex-5-enyl)-3-phenyl-7-prop-1-en-2-ylquinoline
SMILESC=C(C)CCCCc1nc2cc(C(=C)C)ccc2cc1-c1ccccc1
InChIInChI=1S/C25H27N/c1-18(2)10-8-9-13-24-23(20-11-6-5-7-12-20)16-22-15-14-21(19(3)4)17-25(22)26-24/h5-7,11-12,14-17H,1,3,8-10,13H2,2,4H3
InChIKeyLCMFCHFDWGSURX-UHFFFAOYSA-N
XLogP7.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylhex-5-enyl)-3-phenyl-7-prop-1-en-2-ylquinoline?
The IUPAC name of 2-(5-methylhex-5-enyl)-3-phenyl-7-prop-1-en-2-ylquinoline (CID 126659277) is 2-(5-methylhex-5-enyl)-3-phenyl-7-prop-1-en-2-ylquinoline.
What is the SMILES notation for 2-(5-methylhex-5-enyl)-3-phenyl-7-prop-1-en-2-ylquinoline?
The canonical SMILES for 2-(5-methylhex-5-enyl)-3-phenyl-7-prop-1-en-2-ylquinoline is C=C(C)CCCCc1nc2cc(C(=C)C)ccc2cc1-c1ccccc1.
What is the InChIKey of 2-(5-methylhex-5-enyl)-3-phenyl-7-prop-1-en-2-ylquinoline?
The InChIKey is LCMFCHFDWGSURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N/c1-18(2)10-8-9-13-24-23(20-11-6-5-7-12-20)16-22-15-14-21(19(3)4)17-25(22)26-24/h5-7,11-12,14-17H,1,3,8-10,13H2,2,4H3.
What are the key properties of 2-(5-methylhex-5-enyl)-3-phenyl-7-prop-1-en-2-ylquinoline?
2-(5-methylhex-5-enyl)-3-phenyl-7-prop-1-en-2-ylquinoline has a molecular weight of 341.50 g/mol, XLogP of 7.22, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylhex-5-enyl)-3-phenyl-7-prop-1-en-2-ylquinoline is sourced from PubChem (CID 126659277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).