4-chloro-3-(7-methyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol

C15H10ClN5O — CID 73052325

IUPAC4-chloro-3-(7-methyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol
SMILESCc1nc2cccnc2n2c(-c3cc(O)ccc3Cl)nnc12
InChIInChI=1S/C15H10ClN5O/c1-8-13-19-20-14(10-7-9(22)4-5-11(10)16)21(13)15-12(18-8)3-2-6-17-15/h2-7,22H,1H3
InChIKeyOOMWWAGKPLNKNM-UHFFFAOYSA-N
MW311.73 g/mol
LogP3.01
Rot. Bonds1

About 4-chloro-3-(7-methyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol

4-chloro-3-(7-methyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol (PubChem CID 73052325) has the molecular formula C15H10ClN5O and a molecular weight of 311.73 g/mol. Its IUPAC name is 4-chloro-3-(7-methyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol.

Molecular Properties

Compound Name4-chloro-3-(7-methyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol
PubChem CID73052325
Molecular FormulaC15H10ClN5O
Molecular Weight311.73 g/mol
Exact Mass311.06
IUPAC Name4-chloro-3-(7-methyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol
SMILESCc1nc2cccnc2n2c(-c3cc(O)ccc3Cl)nnc12
InChIInChI=1S/C15H10ClN5O/c1-8-13-19-20-14(10-7-9(22)4-5-11(10)16)21(13)15-12(18-8)3-2-6-17-15/h2-7,22H,1H3
InChIKeyOOMWWAGKPLNKNM-UHFFFAOYSA-N
XLogP3.01
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.73
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-3-(7-methyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol 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 4-chloro-3-(7-methyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol?
The IUPAC name of 4-chloro-3-(7-methyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol (CID 73052325) is 4-chloro-3-(7-methyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol.
What is the SMILES notation for 4-chloro-3-(7-methyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol?
The canonical SMILES for 4-chloro-3-(7-methyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol is Cc1nc2cccnc2n2c(-c3cc(O)ccc3Cl)nnc12.
What is the InChIKey of 4-chloro-3-(7-methyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol?
The InChIKey is OOMWWAGKPLNKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5O/c1-8-13-19-20-14(10-7-9(22)4-5-11(10)16)21(13)15-12(18-8)3-2-6-17-15/h2-7,22H,1H3.
What are the key properties of 4-chloro-3-(7-methyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol?
4-chloro-3-(7-methyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol has a molecular weight of 311.73 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(7-methyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol is sourced from PubChem (CID 73052325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).