6,9-dimethyl-5-phenyl-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]quinoline

C20H23NO — CID 58956399

IUPAC6,9-dimethyl-5-phenyl-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]quinoline
SMILESCc1ccc2c(c1)C1OCCCC1C(c1ccccc1)N2C
InChIInChI=1S/C20H23NO/c1-14-10-11-18-17(13-14)20-16(9-6-12-22-20)19(21(18)2)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,16,19-20H,6,9,12H2,1-2H3
InChIKeyGRUROJRGXLTBIB-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.65
Rot. Bonds1

About 6,9-dimethyl-5-phenyl-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]quinoline

6,9-dimethyl-5-phenyl-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]quinoline (PubChem CID 58956399) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 6,9-dimethyl-5-phenyl-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]quinoline.

Molecular Properties

Compound Name6,9-dimethyl-5-phenyl-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]quinoline
PubChem CID58956399
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name6,9-dimethyl-5-phenyl-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]quinoline
SMILESCc1ccc2c(c1)C1OCCCC1C(c1ccccc1)N2C
InChIInChI=1S/C20H23NO/c1-14-10-11-18-17(13-14)20-16(9-6-12-22-20)19(21(18)2)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,16,19-20H,6,9,12H2,1-2H3
InChIKeyGRUROJRGXLTBIB-UHFFFAOYSA-N
XLogP4.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,9-dimethyl-5-phenyl-2,3,4,4a,5,10b-hexahydropyrano[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 6,9-dimethyl-5-phenyl-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]quinoline?
The IUPAC name of 6,9-dimethyl-5-phenyl-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]quinoline (CID 58956399) is 6,9-dimethyl-5-phenyl-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]quinoline.
What is the SMILES notation for 6,9-dimethyl-5-phenyl-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]quinoline?
The canonical SMILES for 6,9-dimethyl-5-phenyl-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]quinoline is Cc1ccc2c(c1)C1OCCCC1C(c1ccccc1)N2C.
What is the InChIKey of 6,9-dimethyl-5-phenyl-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]quinoline?
The InChIKey is GRUROJRGXLTBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-14-10-11-18-17(13-14)20-16(9-6-12-22-20)19(21(18)2)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,16,19-20H,6,9,12H2,1-2H3.
What are the key properties of 6,9-dimethyl-5-phenyl-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]quinoline?
6,9-dimethyl-5-phenyl-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]quinoline has a molecular weight of 293.41 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dimethyl-5-phenyl-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]quinoline is sourced from PubChem (CID 58956399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).