2-(4,8-dimethylnona-3,7-dienyl)-6-hydroxy-2,5-dimethyl-5H-pyrano[3,2-c]quinoline

C25H33NO2 — CID 163150511

IUPAC2-(4,8-dimethylnona-3,7-dienyl)-6-hydroxy-2,5-dimethyl-5H-pyrano[3,2-c]quinoline
SMILESCC(C)=CCCC(C)=CCCC1(C)C=CC2=C(O1)c1ccccc1N(O)C2C
InChIInChI=1S/C25H33NO2/c1-18(2)10-8-11-19(3)12-9-16-25(5)17-15-21-20(4)26(27)23-14-7-6-13-22(23)24(21)28-25/h6-7,10,12-15,17,20,27H,8-9,11,16H2,1-5H3
InChIKeyNEIDGUHZMLRMMC-UHFFFAOYSA-N
MW379.54 g/mol
LogP6.81
Rot. Bonds6

About 2-(4,8-dimethylnona-3,7-dienyl)-6-hydroxy-2,5-dimethyl-5H-pyrano[3,2-c]quinoline

2-(4,8-dimethylnona-3,7-dienyl)-6-hydroxy-2,5-dimethyl-5H-pyrano[3,2-c]quinoline (PubChem CID 163150511) has the molecular formula C25H33NO2 and a molecular weight of 379.54 g/mol. Its IUPAC name is 2-(4,8-dimethylnona-3,7-dienyl)-6-hydroxy-2,5-dimethyl-5H-pyrano[3,2-c]quinoline.

Molecular Properties

Compound Name2-(4,8-dimethylnona-3,7-dienyl)-6-hydroxy-2,5-dimethyl-5H-pyrano[3,2-c]quinoline
PubChem CID163150511
Molecular FormulaC25H33NO2
Molecular Weight379.54 g/mol
Exact Mass379.25
IUPAC Name2-(4,8-dimethylnona-3,7-dienyl)-6-hydroxy-2,5-dimethyl-5H-pyrano[3,2-c]quinoline
SMILESCC(C)=CCCC(C)=CCCC1(C)C=CC2=C(O1)c1ccccc1N(O)C2C
InChIInChI=1S/C25H33NO2/c1-18(2)10-8-11-19(3)12-9-16-25(5)17-15-21-20(4)26(27)23-14-7-6-13-22(23)24(21)28-25/h6-7,10,12-15,17,20,27H,8-9,11,16H2,1-5H3
InChIKeyNEIDGUHZMLRMMC-UHFFFAOYSA-N
XLogP6.81
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.54
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4,8-dimethylnona-3,7-dienyl)-6-hydroxy-2,5-dimethyl-5H-pyrano[3,2-c]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethylnona-3,7-dienyl)-6-hydroxy-2,5-dimethyl-5H-pyrano[3,2-c]quinoline?
The IUPAC name of 2-(4,8-dimethylnona-3,7-dienyl)-6-hydroxy-2,5-dimethyl-5H-pyrano[3,2-c]quinoline (CID 163150511) is 2-(4,8-dimethylnona-3,7-dienyl)-6-hydroxy-2,5-dimethyl-5H-pyrano[3,2-c]quinoline.
What is the SMILES notation for 2-(4,8-dimethylnona-3,7-dienyl)-6-hydroxy-2,5-dimethyl-5H-pyrano[3,2-c]quinoline?
The canonical SMILES for 2-(4,8-dimethylnona-3,7-dienyl)-6-hydroxy-2,5-dimethyl-5H-pyrano[3,2-c]quinoline is CC(C)=CCCC(C)=CCCC1(C)C=CC2=C(O1)c1ccccc1N(O)C2C.
What is the InChIKey of 2-(4,8-dimethylnona-3,7-dienyl)-6-hydroxy-2,5-dimethyl-5H-pyrano[3,2-c]quinoline?
The InChIKey is NEIDGUHZMLRMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO2/c1-18(2)10-8-11-19(3)12-9-16-25(5)17-15-21-20(4)26(27)23-14-7-6-13-22(23)24(21)28-25/h6-7,10,12-15,17,20,27H,8-9,11,16H2,1-5H3.
What are the key properties of 2-(4,8-dimethylnona-3,7-dienyl)-6-hydroxy-2,5-dimethyl-5H-pyrano[3,2-c]quinoline?
2-(4,8-dimethylnona-3,7-dienyl)-6-hydroxy-2,5-dimethyl-5H-pyrano[3,2-c]quinoline has a molecular weight of 379.54 g/mol, XLogP of 6.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethylnona-3,7-dienyl)-6-hydroxy-2,5-dimethyl-5H-pyrano[3,2-c]quinoline is sourced from PubChem (CID 163150511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).