2,2-dicyclohexyl-3,4,4a,5,6,10b-hexahydropyrano[3,2-c]quinoline

C24H35NO — CID 140665085

IUPAC2,2-dicyclohexyl-3,4,4a,5,6,10b-hexahydropyrano[3,2-c]quinoline
SMILESc1ccc2c(c1)NCC1CCC(C3CCCCC3)(C3CCCCC3)OC21
InChIInChI=1S/C24H35NO/c1-3-9-19(10-4-1)24(20-11-5-2-6-12-20)16-15-18-17-25-22-14-8-7-13-21(22)23(18)26-24/h7-8,13-14,18-20,23,25H,1-6,9-12,15-17H2
InChIKeyBYXFVLGISDEJDU-UHFFFAOYSA-N
MW353.55 g/mol
LogP6.48
Rot. Bonds2

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

2,2-dicyclohexyl-3,4,4a,5,6,10b-hexahydropyrano[3,2-c]quinoline (PubChem CID 140665085) has the molecular formula C24H35NO and a molecular weight of 353.55 g/mol. Its IUPAC name is 2,2-dicyclohexyl-3,4,4a,5,6,10b-hexahydropyrano[3,2-c]quinoline.

Molecular Properties

Compound Name2,2-dicyclohexyl-3,4,4a,5,6,10b-hexahydropyrano[3,2-c]quinoline
PubChem CID140665085
Molecular FormulaC24H35NO
Molecular Weight353.55 g/mol
Exact Mass353.27
IUPAC Name2,2-dicyclohexyl-3,4,4a,5,6,10b-hexahydropyrano[3,2-c]quinoline
SMILESc1ccc2c(c1)NCC1CCC(C3CCCCC3)(C3CCCCC3)OC21
InChIInChI=1S/C24H35NO/c1-3-9-19(10-4-1)24(20-11-5-2-6-12-20)16-15-18-17-25-22-14-8-7-13-21(22)23(18)26-24/h7-8,13-14,18-20,23,25H,1-6,9-12,15-17H2
InChIKeyBYXFVLGISDEJDU-UHFFFAOYSA-N
XLogP6.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.55
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-dicyclohexyl-3,4,4a,5,6,10b-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 2,2-dicyclohexyl-3,4,4a,5,6,10b-hexahydropyrano[3,2-c]quinoline?
The IUPAC name of 2,2-dicyclohexyl-3,4,4a,5,6,10b-hexahydropyrano[3,2-c]quinoline (CID 140665085) is 2,2-dicyclohexyl-3,4,4a,5,6,10b-hexahydropyrano[3,2-c]quinoline.
What is the SMILES notation for 2,2-dicyclohexyl-3,4,4a,5,6,10b-hexahydropyrano[3,2-c]quinoline?
The canonical SMILES for 2,2-dicyclohexyl-3,4,4a,5,6,10b-hexahydropyrano[3,2-c]quinoline is c1ccc2c(c1)NCC1CCC(C3CCCCC3)(C3CCCCC3)OC21.
What is the InChIKey of 2,2-dicyclohexyl-3,4,4a,5,6,10b-hexahydropyrano[3,2-c]quinoline?
The InChIKey is BYXFVLGISDEJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO/c1-3-9-19(10-4-1)24(20-11-5-2-6-12-20)16-15-18-17-25-22-14-8-7-13-21(22)23(18)26-24/h7-8,13-14,18-20,23,25H,1-6,9-12,15-17H2.
What are the key properties of 2,2-dicyclohexyl-3,4,4a,5,6,10b-hexahydropyrano[3,2-c]quinoline?
2,2-dicyclohexyl-3,4,4a,5,6,10b-hexahydropyrano[3,2-c]quinoline has a molecular weight of 353.55 g/mol, XLogP of 6.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclohexyl-3,4,4a,5,6,10b-hexahydropyrano[3,2-c]quinoline is sourced from PubChem (CID 140665085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).