18-methyl-18-azatetracyclo[7.6.3.01,10.02,7]octadeca-2,6-diene-3,4,14-triol

C18H27NO3 — CID 163807917

IUPAC18-methyl-18-azatetracyclo[7.6.3.01,10.02,7]octadeca-2,6-diene-3,4,14-triol
SMILESCN1CCC23CC(O)CCCC2C1CC1=CCC(O)C(O)=C13
InChIInChI=1S/C18H27NO3/c1-19-8-7-18-10-12(20)3-2-4-13(18)14(19)9-11-5-6-15(21)17(22)16(11)18/h5,12-15,20-22H,2-4,6-10H2,1H3
InChIKeyNKQWWRBNPNQKGZ-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.13
Rot. Bonds

About 18-methyl-18-azatetracyclo[7.6.3.01,10.02,7]octadeca-2,6-diene-3,4,14-triol

18-methyl-18-azatetracyclo[7.6.3.01,10.02,7]octadeca-2,6-diene-3,4,14-triol (PubChem CID 163807917) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 18-methyl-18-azatetracyclo[7.6.3.01,10.02,7]octadeca-2,6-diene-3,4,14-triol.

Molecular Properties

Compound Name18-methyl-18-azatetracyclo[7.6.3.01,10.02,7]octadeca-2,6-diene-3,4,14-triol
PubChem CID163807917
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name18-methyl-18-azatetracyclo[7.6.3.01,10.02,7]octadeca-2,6-diene-3,4,14-triol
SMILESCN1CCC23CC(O)CCCC2C1CC1=CCC(O)C(O)=C13
InChIInChI=1S/C18H27NO3/c1-19-8-7-18-10-12(20)3-2-4-13(18)14(19)9-11-5-6-15(21)17(22)16(11)18/h5,12-15,20-22H,2-4,6-10H2,1H3
InChIKeyNKQWWRBNPNQKGZ-UHFFFAOYSA-N
XLogP2.13
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 18-methyl-18-azatetracyclo[7.6.3.01,10.02,7]octadeca-2,6-diene-3,4,14-triol 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 18-methyl-18-azatetracyclo[7.6.3.01,10.02,7]octadeca-2,6-diene-3,4,14-triol?
The IUPAC name of 18-methyl-18-azatetracyclo[7.6.3.01,10.02,7]octadeca-2,6-diene-3,4,14-triol (CID 163807917) is 18-methyl-18-azatetracyclo[7.6.3.01,10.02,7]octadeca-2,6-diene-3,4,14-triol.
What is the SMILES notation for 18-methyl-18-azatetracyclo[7.6.3.01,10.02,7]octadeca-2,6-diene-3,4,14-triol?
The canonical SMILES for 18-methyl-18-azatetracyclo[7.6.3.01,10.02,7]octadeca-2,6-diene-3,4,14-triol is CN1CCC23CC(O)CCCC2C1CC1=CCC(O)C(O)=C13.
What is the InChIKey of 18-methyl-18-azatetracyclo[7.6.3.01,10.02,7]octadeca-2,6-diene-3,4,14-triol?
The InChIKey is NKQWWRBNPNQKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-19-8-7-18-10-12(20)3-2-4-13(18)14(19)9-11-5-6-15(21)17(22)16(11)18/h5,12-15,20-22H,2-4,6-10H2,1H3.
What are the key properties of 18-methyl-18-azatetracyclo[7.6.3.01,10.02,7]octadeca-2,6-diene-3,4,14-triol?
18-methyl-18-azatetracyclo[7.6.3.01,10.02,7]octadeca-2,6-diene-3,4,14-triol has a molecular weight of 305.42 g/mol, XLogP of 2.13, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 18-methyl-18-azatetracyclo[7.6.3.01,10.02,7]octadeca-2,6-diene-3,4,14-triol is sourced from PubChem (CID 163807917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).