(12R)-5-chloro-10-ethenyl-10-methoxy-4-methyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-11-ol

C20H19ClN2O3 — CID 24985654

IUPAC(12R)-5-chloro-10-ethenyl-10-methoxy-4-methyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-11-ol
SMILESC=CC1(OC)c2ccn3c(Cl)c(C)nc3c2O[C@H](c2ccccc2)C1O
InChIInChI=1S/C20H19ClN2O3/c1-4-20(25-3)14-10-11-23-18(21)12(2)22-19(23)16(14)26-15(17(20)24)13-8-6-5-7-9-13/h4-11,15,17,24H,1H2,2-3H3/t15-,17?,20?/m1/s1
InChIKeyUQJNCUFPXDVGKZ-XRTORIHISA-N
MW370.84 g/mol
LogP3.82
Rot. Bonds3

About (12R)-5-chloro-10-ethenyl-10-methoxy-4-methyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-11-ol

(12R)-5-chloro-10-ethenyl-10-methoxy-4-methyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-11-ol (PubChem CID 24985654) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is (12R)-5-chloro-10-ethenyl-10-methoxy-4-methyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-11-ol.

Molecular Properties

Compound Name(12R)-5-chloro-10-ethenyl-10-methoxy-4-methyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-11-ol
PubChem CID24985654
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name(12R)-5-chloro-10-ethenyl-10-methoxy-4-methyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-11-ol
SMILESC=CC1(OC)c2ccn3c(Cl)c(C)nc3c2O[C@H](c2ccccc2)C1O
InChIInChI=1S/C20H19ClN2O3/c1-4-20(25-3)14-10-11-23-18(21)12(2)22-19(23)16(14)26-15(17(20)24)13-8-6-5-7-9-13/h4-11,15,17,24H,1H2,2-3H3/t15-,17?,20?/m1/s1
InChIKeyUQJNCUFPXDVGKZ-XRTORIHISA-N
XLogP3.82
TPSA55.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (12R)-5-chloro-10-ethenyl-10-methoxy-4-methyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-11-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 (12R)-5-chloro-10-ethenyl-10-methoxy-4-methyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-11-ol?
The IUPAC name of (12R)-5-chloro-10-ethenyl-10-methoxy-4-methyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-11-ol (CID 24985654) is (12R)-5-chloro-10-ethenyl-10-methoxy-4-methyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-11-ol.
What is the SMILES notation for (12R)-5-chloro-10-ethenyl-10-methoxy-4-methyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-11-ol?
The canonical SMILES for (12R)-5-chloro-10-ethenyl-10-methoxy-4-methyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-11-ol is C=CC1(OC)c2ccn3c(Cl)c(C)nc3c2O[C@H](c2ccccc2)C1O.
What is the InChIKey of (12R)-5-chloro-10-ethenyl-10-methoxy-4-methyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-11-ol?
The InChIKey is UQJNCUFPXDVGKZ-XRTORIHISA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-4-20(25-3)14-10-11-23-18(21)12(2)22-19(23)16(14)26-15(17(20)24)13-8-6-5-7-9-13/h4-11,15,17,24H,1H2,2-3H3/t15-,17?,20?/m1/s1.
What are the key properties of (12R)-5-chloro-10-ethenyl-10-methoxy-4-methyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-11-ol?
(12R)-5-chloro-10-ethenyl-10-methoxy-4-methyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-11-ol has a molecular weight of 370.84 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (12R)-5-chloro-10-ethenyl-10-methoxy-4-methyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-11-ol is sourced from PubChem (CID 24985654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).