(4aS,5R,10bS)-5-cyclohexyl-9-phenoxy-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline

C24H29NO2 — CID 71655349

IUPAC(4aS,5R,10bS)-5-cyclohexyl-9-phenoxy-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
SMILESc1ccc(Oc2ccc3c(c2)[C@H]2OCCC[C@H]2[C@@H](C2CCCCC2)N3)cc1
InChIInChI=1S/C24H29NO2/c1-3-8-17(9-4-1)23-20-12-7-15-26-24(20)21-16-19(13-14-22(21)25-23)27-18-10-5-2-6-11-18/h2,5-6,10-11,13-14,16-17,20,23-25H,1,3-4,7-9,12,15H2/t20-,23+,24-/m0/s1
InChIKeyVCIAHHQMJRBLID-ZTCOLXNVSA-N
MW363.50 g/mol
LogP6.32
Rot. Bonds3

About (4aS,5R,10bS)-5-cyclohexyl-9-phenoxy-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline

(4aS,5R,10bS)-5-cyclohexyl-9-phenoxy-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline (PubChem CID 71655349) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is (4aS,5R,10bS)-5-cyclohexyl-9-phenoxy-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline.

Molecular Properties

Compound Name(4aS,5R,10bS)-5-cyclohexyl-9-phenoxy-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
PubChem CID71655349
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name(4aS,5R,10bS)-5-cyclohexyl-9-phenoxy-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
SMILESc1ccc(Oc2ccc3c(c2)[C@H]2OCCC[C@H]2[C@@H](C2CCCCC2)N3)cc1
InChIInChI=1S/C24H29NO2/c1-3-8-17(9-4-1)23-20-12-7-15-26-24(20)21-16-19(13-14-22(21)25-23)27-18-10-5-2-6-11-18/h2,5-6,10-11,13-14,16-17,20,23-25H,1,3-4,7-9,12,15H2/t20-,23+,24-/m0/s1
InChIKeyVCIAHHQMJRBLID-ZTCOLXNVSA-N
XLogP6.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4aS,5R,10bS)-5-cyclohexyl-9-phenoxy-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline with MolForge

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Launch Full Analysis

Related Compounds

6-Ethoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline
CID 86013
5-Phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 371501
2-(4-Hydroxy-phenyl)-1-[4-(2-piperidin-1-yl-ethoxy)-benzyl]-1,2,3,4-tetrahydro-quinolin-6-ol
CID 9912022
2-(3-Hydroxy-phenyl)-1-[4-(2-piperidin-1-yl-ethoxy)-benzyl]-1,2,3,4-tetrahydro-quinolin-6-ol
CID 10182934
6-(3-(Piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroquinoline
CID 9974962
1-Ethyl-6-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroquinoline
CID 10090854
2-Phenyl-1-[4-(2-piperidin-1-yl-ethoxy)-benzyl]-1,2,3,4-tetrahydro-quinolin-6-ol
CID 10181886
2-(4-Hydroxy-phenyl)-1-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-1,2,3,4-tetrahydro-quinolin-6-ol
CID 10275313
1-(Cyclohexylmethyl)-6-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroquinoline
CID 10364005
3-((4aS,5R,10bS)-9-tert-butyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)phenol
CID 11325207
(4aS,5R,10bS)-9-(3-methylbutoxy)-5-piperidin-4-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 71654693
(4aS,5R,10bS)-5-(1-ethylpiperidin-4-yl)-9-(3-methylbutoxy)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 71654694

Frequently Asked Questions

What is the IUPAC name of (4aS,5R,10bS)-5-cyclohexyl-9-phenoxy-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
The IUPAC name of (4aS,5R,10bS)-5-cyclohexyl-9-phenoxy-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline (CID 71655349) is (4aS,5R,10bS)-5-cyclohexyl-9-phenoxy-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline.
What is the SMILES notation for (4aS,5R,10bS)-5-cyclohexyl-9-phenoxy-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
The canonical SMILES for (4aS,5R,10bS)-5-cyclohexyl-9-phenoxy-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline is c1ccc(Oc2ccc3c(c2)[C@H]2OCCC[C@H]2[C@@H](C2CCCCC2)N3)cc1.
What is the InChIKey of (4aS,5R,10bS)-5-cyclohexyl-9-phenoxy-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
The InChIKey is VCIAHHQMJRBLID-ZTCOLXNVSA-N. The full InChI is InChI=1S/C24H29NO2/c1-3-8-17(9-4-1)23-20-12-7-15-26-24(20)21-16-19(13-14-22(21)25-23)27-18-10-5-2-6-11-18/h2,5-6,10-11,13-14,16-17,20,23-25H,1,3-4,7-9,12,15H2/t20-,23+,24-/m0/s1.
What are the key properties of (4aS,5R,10bS)-5-cyclohexyl-9-phenoxy-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
(4aS,5R,10bS)-5-cyclohexyl-9-phenoxy-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline has a molecular weight of 363.50 g/mol, XLogP of 6.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,5R,10bS)-5-cyclohexyl-9-phenoxy-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline is sourced from PubChem (CID 71655349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).