11-benzyl-4-(4-chlorophenyl)-7,13-dimethyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one

C23H18ClN5O — CID 11850144

IUPAC11-benzyl-4-(4-chlorophenyl)-7,13-dimethyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one
SMILESCc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(-c4ccc(Cl)cc4)cc3c12
InChIInChI=1S/C23H18ClN5O/c1-14-21-20-12-19(17-8-10-18(24)11-9-17)27-29(20)15(2)25-22(21)23(30)28(26-14)13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3
InChIKeyLXVUCCLYFIOVHQ-UHFFFAOYSA-N
MW415.88 g/mol
LogP4.42
Rot. Bonds3

About 11-benzyl-4-(4-chlorophenyl)-7,13-dimethyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one

11-benzyl-4-(4-chlorophenyl)-7,13-dimethyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one (PubChem CID 11850144) has the molecular formula C23H18ClN5O and a molecular weight of 415.88 g/mol. Its IUPAC name is 11-benzyl-4-(4-chlorophenyl)-7,13-dimethyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one.

Molecular Properties

Compound Name11-benzyl-4-(4-chlorophenyl)-7,13-dimethyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one
PubChem CID11850144
Molecular FormulaC23H18ClN5O
Molecular Weight415.88 g/mol
Exact Mass415.12
IUPAC Name11-benzyl-4-(4-chlorophenyl)-7,13-dimethyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one
SMILESCc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(-c4ccc(Cl)cc4)cc3c12
InChIInChI=1S/C23H18ClN5O/c1-14-21-20-12-19(17-8-10-18(24)11-9-17)27-29(20)15(2)25-22(21)23(30)28(26-14)13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3
InChIKeyLXVUCCLYFIOVHQ-UHFFFAOYSA-N
XLogP4.42
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-benzyl-4-(4-chlorophenyl)-7,13-dimethyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-benzyl-4-(4-chlorophenyl)-7,13-dimethyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one?
The IUPAC name of 11-benzyl-4-(4-chlorophenyl)-7,13-dimethyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one (CID 11850144) is 11-benzyl-4-(4-chlorophenyl)-7,13-dimethyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one.
What is the SMILES notation for 11-benzyl-4-(4-chlorophenyl)-7,13-dimethyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one?
The canonical SMILES for 11-benzyl-4-(4-chlorophenyl)-7,13-dimethyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one is Cc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(-c4ccc(Cl)cc4)cc3c12.
What is the InChIKey of 11-benzyl-4-(4-chlorophenyl)-7,13-dimethyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one?
The InChIKey is LXVUCCLYFIOVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O/c1-14-21-20-12-19(17-8-10-18(24)11-9-17)27-29(20)15(2)25-22(21)23(30)28(26-14)13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3.
What are the key properties of 11-benzyl-4-(4-chlorophenyl)-7,13-dimethyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one?
11-benzyl-4-(4-chlorophenyl)-7,13-dimethyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one has a molecular weight of 415.88 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-benzyl-4-(4-chlorophenyl)-7,13-dimethyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one is sourced from PubChem (CID 11850144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).