(5R)-9-(2-methylbutan-2-yl)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline

C23H29NO — CID 143070183

IUPAC(5R)-9-(2-methylbutan-2-yl)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
SMILESCCC(C)(C)c1ccc2c(c1)C1OCCCC1[C@H](c1ccccc1)N2
InChIInChI=1S/C23H29NO/c1-4-23(2,3)17-12-13-20-19(15-17)22-18(11-8-14-25-22)21(24-20)16-9-6-5-7-10-16/h5-7,9-10,12-13,15,18,21-22,24H,4,8,11,14H2,1-3H3/t18?,21-,22?/m0/s1
InChIKeyDMMYLHUFFHBOMO-QUENFVSXSA-N
MW335.49 g/mol
LogP6.01
Rot. Bonds3

About (5R)-9-(2-methylbutan-2-yl)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline

(5R)-9-(2-methylbutan-2-yl)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline (PubChem CID 143070183) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is (5R)-9-(2-methylbutan-2-yl)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline.

Molecular Properties

Compound Name(5R)-9-(2-methylbutan-2-yl)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
PubChem CID143070183
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name(5R)-9-(2-methylbutan-2-yl)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
SMILESCCC(C)(C)c1ccc2c(c1)C1OCCCC1[C@H](c1ccccc1)N2
InChIInChI=1S/C23H29NO/c1-4-23(2,3)17-12-13-20-19(15-17)22-18(11-8-14-25-22)21(24-20)16-9-6-5-7-10-16/h5-7,9-10,12-13,15,18,21-22,24H,4,8,11,14H2,1-3H3/t18?,21-,22?/m0/s1
InChIKeyDMMYLHUFFHBOMO-QUENFVSXSA-N
XLogP6.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5R)-9-(2-methylbutan-2-yl)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-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 (5R)-9-(2-methylbutan-2-yl)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
The IUPAC name of (5R)-9-(2-methylbutan-2-yl)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline (CID 143070183) is (5R)-9-(2-methylbutan-2-yl)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline.
What is the SMILES notation for (5R)-9-(2-methylbutan-2-yl)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
The canonical SMILES for (5R)-9-(2-methylbutan-2-yl)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline is CCC(C)(C)c1ccc2c(c1)C1OCCCC1[C@H](c1ccccc1)N2.
What is the InChIKey of (5R)-9-(2-methylbutan-2-yl)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
The InChIKey is DMMYLHUFFHBOMO-QUENFVSXSA-N. The full InChI is InChI=1S/C23H29NO/c1-4-23(2,3)17-12-13-20-19(15-17)22-18(11-8-14-25-22)21(24-20)16-9-6-5-7-10-16/h5-7,9-10,12-13,15,18,21-22,24H,4,8,11,14H2,1-3H3/t18?,21-,22?/m0/s1.
What are the key properties of (5R)-9-(2-methylbutan-2-yl)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
(5R)-9-(2-methylbutan-2-yl)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline has a molecular weight of 335.49 g/mol, XLogP of 6.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-(2-methylbutan-2-yl)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline is sourced from PubChem (CID 143070183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).