15-benzyl-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene

C19H20N4 — CID 46960262

IUPAC15-benzyl-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene
SMILESCc1cc2ncc3c(n2n1)CC1CCC3N1Cc1ccccc1
InChIInChI=1S/C19H20N4/c1-13-9-19-20-11-16-17-8-7-15(10-18(16)23(19)21-13)22(17)12-14-5-3-2-4-6-14/h2-6,9,11,15,17H,7-8,10,12H2,1H3
InChIKeyKRSJVMFDNYHXNB-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.30
Rot. Bonds2

About 15-benzyl-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene

15-benzyl-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene (PubChem CID 46960262) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 15-benzyl-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene.

Molecular Properties

Compound Name15-benzyl-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene
PubChem CID46960262
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name15-benzyl-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene
SMILESCc1cc2ncc3c(n2n1)CC1CCC3N1Cc1ccccc1
InChIInChI=1S/C19H20N4/c1-13-9-19-20-11-16-17-8-7-15(10-18(16)23(19)21-13)22(17)12-14-5-3-2-4-6-14/h2-6,9,11,15,17H,7-8,10,12H2,1H3
InChIKeyKRSJVMFDNYHXNB-UHFFFAOYSA-N
XLogP3.30
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 15-benzyl-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene 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 15-benzyl-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene?
The IUPAC name of 15-benzyl-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene (CID 46960262) is 15-benzyl-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene.
What is the SMILES notation for 15-benzyl-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene?
The canonical SMILES for 15-benzyl-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene is Cc1cc2ncc3c(n2n1)CC1CCC3N1Cc1ccccc1.
What is the InChIKey of 15-benzyl-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene?
The InChIKey is KRSJVMFDNYHXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-13-9-19-20-11-16-17-8-7-15(10-18(16)23(19)21-13)22(17)12-14-5-3-2-4-6-14/h2-6,9,11,15,17H,7-8,10,12H2,1H3.
What are the key properties of 15-benzyl-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene?
15-benzyl-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene has a molecular weight of 304.40 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-benzyl-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene is sourced from PubChem (CID 46960262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).