(14aR)-2,3-dimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizin-6-ol

C23H25NO3 — CID 118721768

IUPAC(14aR)-2,3-dimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizin-6-ol
SMILESCOc1cc2c3c(c4ccc(O)cc4c2cc1OC)CN1CCCC[C@@H]1C3
InChIInChI=1S/C23H25NO3/c1-26-22-11-19-17-9-14-5-3-4-8-24(14)13-21(17)16-7-6-15(25)10-18(16)20(19)12-23(22)27-2/h6-7,10-12,14,25H,3-5,8-9,13H2,1-2H3/t14-/m1/s1
InChIKeyQQVQWZFYCBFODR-CQSZACIVSA-N
MW363.46 g/mol
LogP4.63
Rot. Bonds2

About (14aR)-2,3-dimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizin-6-ol

(14aR)-2,3-dimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizin-6-ol (PubChem CID 118721768) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is (14aR)-2,3-dimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizin-6-ol.

Molecular Properties

Compound Name(14aR)-2,3-dimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizin-6-ol
PubChem CID118721768
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name(14aR)-2,3-dimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizin-6-ol
SMILESCOc1cc2c3c(c4ccc(O)cc4c2cc1OC)CN1CCCC[C@@H]1C3
InChIInChI=1S/C23H25NO3/c1-26-22-11-19-17-9-14-5-3-4-8-24(14)13-21(17)16-7-6-15(25)10-18(16)20(19)12-23(22)27-2/h6-7,10-12,14,25H,3-5,8-9,13H2,1-2H3/t14-/m1/s1
InChIKeyQQVQWZFYCBFODR-CQSZACIVSA-N
XLogP4.63
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze (14aR)-2,3-dimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizin-6-ol 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 (14aR)-2,3-dimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizin-6-ol?
The IUPAC name of (14aR)-2,3-dimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizin-6-ol (CID 118721768) is (14aR)-2,3-dimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizin-6-ol.
What is the SMILES notation for (14aR)-2,3-dimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizin-6-ol?
The canonical SMILES for (14aR)-2,3-dimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizin-6-ol is COc1cc2c3c(c4ccc(O)cc4c2cc1OC)CN1CCCC[C@@H]1C3.
What is the InChIKey of (14aR)-2,3-dimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizin-6-ol?
The InChIKey is QQVQWZFYCBFODR-CQSZACIVSA-N. The full InChI is InChI=1S/C23H25NO3/c1-26-22-11-19-17-9-14-5-3-4-8-24(14)13-21(17)16-7-6-15(25)10-18(16)20(19)12-23(22)27-2/h6-7,10-12,14,25H,3-5,8-9,13H2,1-2H3/t14-/m1/s1.
What are the key properties of (14aR)-2,3-dimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizin-6-ol?
(14aR)-2,3-dimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizin-6-ol has a molecular weight of 363.46 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (14aR)-2,3-dimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizin-6-ol is sourced from PubChem (CID 118721768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).