11-[(2-chlorophenyl)methyl]-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

C20H13ClN6O — CID 66496674

IUPAC11-[(2-chlorophenyl)methyl]-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESO=c1c2nnc3c(-c4ccccc4)cnn3c2ncn1Cc1ccccc1Cl
InChIInChI=1S/C20H13ClN6O/c21-16-9-5-4-8-14(16)11-26-12-22-19-17(20(26)28)24-25-18-15(10-23-27(18)19)13-6-2-1-3-7-13/h1-10,12H,11H2
InChIKeyCUIBCUZVGFXMFQ-UHFFFAOYSA-N
MW388.82 g/mol
LogP3.20
Rot. Bonds3

About 11-[(2-chlorophenyl)methyl]-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

11-[(2-chlorophenyl)methyl]-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (PubChem CID 66496674) has the molecular formula C20H13ClN6O and a molecular weight of 388.82 g/mol. Its IUPAC name is 11-[(2-chlorophenyl)methyl]-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.

Molecular Properties

Compound Name11-[(2-chlorophenyl)methyl]-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
PubChem CID66496674
Molecular FormulaC20H13ClN6O
Molecular Weight388.82 g/mol
Exact Mass388.08
IUPAC Name11-[(2-chlorophenyl)methyl]-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESO=c1c2nnc3c(-c4ccccc4)cnn3c2ncn1Cc1ccccc1Cl
InChIInChI=1S/C20H13ClN6O/c21-16-9-5-4-8-14(16)11-26-12-22-19-17(20(26)28)24-25-18-15(10-23-27(18)19)13-6-2-1-3-7-13/h1-10,12H,11H2
InChIKeyCUIBCUZVGFXMFQ-UHFFFAOYSA-N
XLogP3.20
TPSA77.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.82
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 11-[(2-chlorophenyl)methyl]-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-phenyl-11-(pyridin-2-ylmethyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496651
11-[(2-chlorophenyl)methyl]-4-(methoxymethyl)-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496505
4-(10-oxo-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)butanoic acid
CID 66496622
5-(4-chlorophenyl)-11-(pyridin-2-ylmethyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496873
5-(4-chlorophenyl)-11-(2-hydroxyethyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496839
5-(4-chlorophenyl)-11-[2-(1H-indol-3-yl)ethyl]-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496849
6-[(2-chlorophenyl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one
CID 7159317
5-(4-chlorophenyl)-11-[(3,4-dimethoxyphenyl)methyl]-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496776
5-(4-chlorophenyl)-11-[2-(1H-imidazol-5-yl)ethyl]-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496872
5-(4-fluorophenyl)-11-[(4-methoxyphenyl)methyl]-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496966
11-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-(4-chlorophenyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496864
3-[(2-chlorophenyl)methyl]-6-[(2-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-one
CID 53331732

Frequently Asked Questions

What is the IUPAC name of 11-[(2-chlorophenyl)methyl]-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The IUPAC name of 11-[(2-chlorophenyl)methyl]-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (CID 66496674) is 11-[(2-chlorophenyl)methyl]-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.
What is the SMILES notation for 11-[(2-chlorophenyl)methyl]-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The canonical SMILES for 11-[(2-chlorophenyl)methyl]-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is O=c1c2nnc3c(-c4ccccc4)cnn3c2ncn1Cc1ccccc1Cl.
What is the InChIKey of 11-[(2-chlorophenyl)methyl]-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The InChIKey is CUIBCUZVGFXMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN6O/c21-16-9-5-4-8-14(16)11-26-12-22-19-17(20(26)28)24-25-18-15(10-23-27(18)19)13-6-2-1-3-7-13/h1-10,12H,11H2.
What are the key properties of 11-[(2-chlorophenyl)methyl]-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
11-[(2-chlorophenyl)methyl]-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one has a molecular weight of 388.82 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(2-chlorophenyl)methyl]-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is sourced from PubChem (CID 66496674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).