(4aS,5R,10bS)-7,9-dimethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline

C20H23NO — CID 26367815

IUPAC(4aS,5R,10bS)-7,9-dimethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
SMILESCc1cc(C)c2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccccc1)N2
InChIInChI=1S/C20H23NO/c1-13-11-14(2)18-17(12-13)20-16(9-6-10-22-20)19(21-18)15-7-4-3-5-8-15/h3-5,7-8,11-12,16,19-21H,6,9-10H2,1-2H3/t16-,19-,20-/m0/s1
InChIKeyWCCHGUMZPFCXTI-VDGAXYAQSA-N
MW293.41 g/mol
LogP4.94
Rot. Bonds1

About (4aS,5R,10bS)-7,9-dimethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline

(4aS,5R,10bS)-7,9-dimethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline (PubChem CID 26367815) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (4aS,5R,10bS)-7,9-dimethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline.

Molecular Properties

Compound Name(4aS,5R,10bS)-7,9-dimethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
PubChem CID26367815
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(4aS,5R,10bS)-7,9-dimethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
SMILESCc1cc(C)c2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccccc1)N2
InChIInChI=1S/C20H23NO/c1-13-11-14(2)18-17(12-13)20-16(9-6-10-22-20)19(21-18)15-7-4-3-5-8-15/h3-5,7-8,11-12,16,19-21H,6,9-10H2,1-2H3/t16-,19-,20-/m0/s1
InChIKeyWCCHGUMZPFCXTI-VDGAXYAQSA-N
XLogP4.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aS,5R,10bS)-7,9-dimethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
The IUPAC name of (4aS,5R,10bS)-7,9-dimethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline (CID 26367815) is (4aS,5R,10bS)-7,9-dimethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline.
What is the SMILES notation for (4aS,5R,10bS)-7,9-dimethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
The canonical SMILES for (4aS,5R,10bS)-7,9-dimethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline is Cc1cc(C)c2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccccc1)N2.
What is the InChIKey of (4aS,5R,10bS)-7,9-dimethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
The InChIKey is WCCHGUMZPFCXTI-VDGAXYAQSA-N. The full InChI is InChI=1S/C20H23NO/c1-13-11-14(2)18-17(12-13)20-16(9-6-10-22-20)19(21-18)15-7-4-3-5-8-15/h3-5,7-8,11-12,16,19-21H,6,9-10H2,1-2H3/t16-,19-,20-/m0/s1.
What are the key properties of (4aS,5R,10bS)-7,9-dimethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
(4aS,5R,10bS)-7,9-dimethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline has a molecular weight of 293.41 g/mol, XLogP of 4.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,5R,10bS)-7,9-dimethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline is sourced from PubChem (CID 26367815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).