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

C25H24N2O — CID 56641869

IUPAC(4aR,5S,10bR)-5-(9-methylcarbazol-3-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
SMILESCn1c2ccccc2c2cc([C@H]3Nc4ccccc4[C@@H]4OCCC[C@H]34)ccc21
InChIInChI=1S/C25H24N2O/c1-27-22-11-5-3-7-17(22)20-15-16(12-13-23(20)27)24-19-9-6-14-28-25(19)18-8-2-4-10-21(18)26-24/h2-5,7-8,10-13,15,19,24-26H,6,9,14H2,1H3/t19-,24-,25+/m1/s1
InChIKeyIXTQJQJPDRZVRA-WVQWTBLQSA-N
MW368.48 g/mol
LogP5.97
Rot. Bonds1

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

(4aR,5S,10bR)-5-(9-methylcarbazol-3-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline (PubChem CID 56641869) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is (4aR,5S,10bR)-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)-5-(9-methylcarbazol-3-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
PubChem CID56641869
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name(4aR,5S,10bR)-5-(9-methylcarbazol-3-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
SMILESCn1c2ccccc2c2cc([C@H]3Nc4ccccc4[C@@H]4OCCC[C@H]34)ccc21
InChIInChI=1S/C25H24N2O/c1-27-22-11-5-3-7-17(22)20-15-16(12-13-23(20)27)24-19-9-6-14-28-25(19)18-8-2-4-10-21(18)26-24/h2-5,7-8,10-13,15,19,24-26H,6,9,14H2,1H3/t19-,24-,25+/m1/s1
InChIKeyIXTQJQJPDRZVRA-WVQWTBLQSA-N
XLogP5.97
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4aR,5S,10bR)-5-(9-methylcarbazol-3-yl)-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 (4aR,5S,10bR)-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)-5-(9-methylcarbazol-3-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline (CID 56641869) is (4aR,5S,10bR)-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)-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)-5-(9-methylcarbazol-3-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline is Cn1c2ccccc2c2cc([C@H]3Nc4ccccc4[C@@H]4OCCC[C@H]34)ccc21.
What is the InChIKey of (4aR,5S,10bR)-5-(9-methylcarbazol-3-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
The InChIKey is IXTQJQJPDRZVRA-WVQWTBLQSA-N. The full InChI is InChI=1S/C25H24N2O/c1-27-22-11-5-3-7-17(22)20-15-16(12-13-23(20)27)24-19-9-6-14-28-25(19)18-8-2-4-10-21(18)26-24/h2-5,7-8,10-13,15,19,24-26H,6,9,14H2,1H3/t19-,24-,25+/m1/s1.
What are the key properties of (4aR,5S,10bR)-5-(9-methylcarbazol-3-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
(4aR,5S,10bR)-5-(9-methylcarbazol-3-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline has a molecular weight of 368.48 g/mol, XLogP of 5.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,5S,10bR)-5-(9-methylcarbazol-3-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline is sourced from PubChem (CID 56641869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).