1-(11-chloro-12-phenyl-2,4,5,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-N,N-dimethylmethanamine

C17H15ClN6 — CID 58229873

IUPAC1-(11-chloro-12-phenyl-2,4,5,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1nnc2ccc3nc(Cl)c(-c4ccccc4)nc3n12
InChIInChI=1S/C17H15ClN6/c1-23(2)10-14-22-21-13-9-8-12-17(24(13)14)20-15(16(18)19-12)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKeyYARUJDJWPQZWLW-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.05
Rot. Bonds3

About 1-(11-chloro-12-phenyl-2,4,5,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-N,N-dimethylmethanamine

1-(11-chloro-12-phenyl-2,4,5,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-N,N-dimethylmethanamine (PubChem CID 58229873) has the molecular formula C17H15ClN6 and a molecular weight of 338.80 g/mol. Its IUPAC name is 1-(11-chloro-12-phenyl-2,4,5,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(11-chloro-12-phenyl-2,4,5,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-N,N-dimethylmethanamine
PubChem CID58229873
Molecular FormulaC17H15ClN6
Molecular Weight338.80 g/mol
Exact Mass338.10
IUPAC Name1-(11-chloro-12-phenyl-2,4,5,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1nnc2ccc3nc(Cl)c(-c4ccccc4)nc3n12
InChIInChI=1S/C17H15ClN6/c1-23(2)10-14-22-21-13-9-8-12-17(24(13)14)20-15(16(18)19-12)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKeyYARUJDJWPQZWLW-UHFFFAOYSA-N
XLogP3.05
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(11-chloro-12-phenyl-2,4,5,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-N,N-dimethylmethanamine 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

1-[4-(3-ethyl-11-phenyl-2,4,5,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-12-yl)phenyl]cyclopropan-1-amine
CID 67349104
1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N,N-dimethylmethanamine
CID 63189570
2-chloro-5-methyl-3-phenylquinoxaline
CID 86730310
1-(benzimidazolo[1,2-c]quinazolin-6-yl)-N,N-dimethylmethanamine
CID 15622179
1-(6,7-dimethyl-3-phenylquinoxalin-2-yl)-N,N-dimethylmethanamine
CID 10851136
2-chloro-3-(4-chlorophenyl)-5,6-diphenylpyrazine
CID 155576945
1-(4-chloro-6-phenylpyrimidin-2-yl)-N,N-dimethylmethanamine
CID 79078383
3-amino-1-cyclopropyl-3-[4-[3-(2-fluorophenyl)-12-phenyl-2,4,5,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-11-yl]phenyl]cyclobutan-1-ol
CID 44555781
N,N,N'-trimethyl-N'-(3-phenylcinnolin-4-yl)ethane-1,2-diamine
CID 71355644
2-[(dimethylamino)methyl]-3-hydroxyquinazolin-4-one;ethane
CID 91440564
5-chloro-6-phenyl-3-pyridin-2-yl-1,2,4-triazine
CID 14642993
2-chloro-3-(2,6-diphenyl-4-pyridinyl)quinoxaline
CID 147700153

Frequently Asked Questions

What is the IUPAC name of 1-(11-chloro-12-phenyl-2,4,5,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(11-chloro-12-phenyl-2,4,5,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-N,N-dimethylmethanamine (CID 58229873) is 1-(11-chloro-12-phenyl-2,4,5,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(11-chloro-12-phenyl-2,4,5,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(11-chloro-12-phenyl-2,4,5,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-N,N-dimethylmethanamine is CN(C)Cc1nnc2ccc3nc(Cl)c(-c4ccccc4)nc3n12.
What is the InChIKey of 1-(11-chloro-12-phenyl-2,4,5,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-N,N-dimethylmethanamine?
The InChIKey is YARUJDJWPQZWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6/c1-23(2)10-14-22-21-13-9-8-12-17(24(13)14)20-15(16(18)19-12)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3.
What are the key properties of 1-(11-chloro-12-phenyl-2,4,5,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-N,N-dimethylmethanamine?
1-(11-chloro-12-phenyl-2,4,5,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-N,N-dimethylmethanamine has a molecular weight of 338.80 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(11-chloro-12-phenyl-2,4,5,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 58229873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).