(4aR,5S,10bR)-9-methyl-5-(9-methylcarbazol-3-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline

C26H26N2O — CID 56641870

IUPAC(4aR,5S,10bR)-9-methyl-5-(9-methylcarbazol-3-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
SMILESCc1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@@H](c1ccc3c(c1)c1ccccc1n3C)N2
InChIInChI=1S/C26H26N2O/c1-16-9-11-22-21(14-16)26-19(7-5-13-29-26)25(27-22)17-10-12-24-20(15-17)18-6-3-4-8-23(18)28(24)2/h3-4,6,8-12,14-15,19,25-27H,5,7,13H2,1-2H3/t19-,25-,26-/m1/s1
InChIKeySDGBXHQFSWRNGS-WGURPXDASA-N
MW382.51 g/mol
LogP6.27
Rot. Bonds1

About (4aR,5S,10bR)-9-methyl-5-(9-methylcarbazol-3-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline

(4aR,5S,10bR)-9-methyl-5-(9-methylcarbazol-3-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline (PubChem CID 56641870) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is (4aR,5S,10bR)-9-methyl-5-(9-methylcarbazol-3-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline.

Molecular Properties

Compound Name(4aR,5S,10bR)-9-methyl-5-(9-methylcarbazol-3-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
PubChem CID56641870
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name(4aR,5S,10bR)-9-methyl-5-(9-methylcarbazol-3-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
SMILESCc1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@@H](c1ccc3c(c1)c1ccccc1n3C)N2
InChIInChI=1S/C26H26N2O/c1-16-9-11-22-21(14-16)26-19(7-5-13-29-26)25(27-22)17-10-12-24-20(15-17)18-6-3-4-8-23(18)28(24)2/h3-4,6,8-12,14-15,19,25-27H,5,7,13H2,1-2H3/t19-,25-,26-/m1/s1
InChIKeySDGBXHQFSWRNGS-WGURPXDASA-N
XLogP6.27
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4aR,5S,10bR)-9-methyl-5-(9-methylcarbazol-3-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aR,5S,10bR)-9-methyl-5-(9-methylcarbazol-3-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
The IUPAC name of (4aR,5S,10bR)-9-methyl-5-(9-methylcarbazol-3-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline (CID 56641870) is (4aR,5S,10bR)-9-methyl-5-(9-methylcarbazol-3-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline.
What is the SMILES notation for (4aR,5S,10bR)-9-methyl-5-(9-methylcarbazol-3-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
The canonical SMILES for (4aR,5S,10bR)-9-methyl-5-(9-methylcarbazol-3-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline is Cc1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@@H](c1ccc3c(c1)c1ccccc1n3C)N2.
What is the InChIKey of (4aR,5S,10bR)-9-methyl-5-(9-methylcarbazol-3-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
The InChIKey is SDGBXHQFSWRNGS-WGURPXDASA-N. The full InChI is InChI=1S/C26H26N2O/c1-16-9-11-22-21(14-16)26-19(7-5-13-29-26)25(27-22)17-10-12-24-20(15-17)18-6-3-4-8-23(18)28(24)2/h3-4,6,8-12,14-15,19,25-27H,5,7,13H2,1-2H3/t19-,25-,26-/m1/s1.
What are the key properties of (4aR,5S,10bR)-9-methyl-5-(9-methylcarbazol-3-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
(4aR,5S,10bR)-9-methyl-5-(9-methylcarbazol-3-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline has a molecular weight of 382.51 g/mol, XLogP of 6.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,5S,10bR)-9-methyl-5-(9-methylcarbazol-3-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline is sourced from PubChem (CID 56641870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).