5,5,8-trimethyl-6H-benzo[h]quinazolin-4-amine

C15H17N3 — CID 162650240

IUPAC5,5,8-trimethyl-6H-benzo[h]quinazolin-4-amine
SMILESCc1ccc2c(c1)CC(C)(C)c1c(N)ncnc1-2
InChIInChI=1S/C15H17N3/c1-9-4-5-11-10(6-9)7-15(2,3)12-13(11)17-8-18-14(12)16/h4-6,8H,7H2,1-3H3,(H2,16,17,18)
InChIKeyKVZDODJAOQRGLH-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.87
Rot. Bonds

About 5,5,8-trimethyl-6H-benzo[h]quinazolin-4-amine

5,5,8-trimethyl-6H-benzo[h]quinazolin-4-amine (PubChem CID 162650240) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 5,5,8-trimethyl-6H-benzo[h]quinazolin-4-amine.

Molecular Properties

Compound Name5,5,8-trimethyl-6H-benzo[h]quinazolin-4-amine
PubChem CID162650240
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name5,5,8-trimethyl-6H-benzo[h]quinazolin-4-amine
SMILESCc1ccc2c(c1)CC(C)(C)c1c(N)ncnc1-2
InChIInChI=1S/C15H17N3/c1-9-4-5-11-10(6-9)7-15(2,3)12-13(11)17-8-18-14(12)16/h4-6,8H,7H2,1-3H3,(H2,16,17,18)
InChIKeyKVZDODJAOQRGLH-UHFFFAOYSA-N
XLogP2.87
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,5,8-trimethyl-6H-benzo[h]quinazolin-4-amine 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 5,5,8-trimethyl-6H-benzo[h]quinazolin-4-amine?
The IUPAC name of 5,5,8-trimethyl-6H-benzo[h]quinazolin-4-amine (CID 162650240) is 5,5,8-trimethyl-6H-benzo[h]quinazolin-4-amine.
What is the SMILES notation for 5,5,8-trimethyl-6H-benzo[h]quinazolin-4-amine?
The canonical SMILES for 5,5,8-trimethyl-6H-benzo[h]quinazolin-4-amine is Cc1ccc2c(c1)CC(C)(C)c1c(N)ncnc1-2.
What is the InChIKey of 5,5,8-trimethyl-6H-benzo[h]quinazolin-4-amine?
The InChIKey is KVZDODJAOQRGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-9-4-5-11-10(6-9)7-15(2,3)12-13(11)17-8-18-14(12)16/h4-6,8H,7H2,1-3H3,(H2,16,17,18).
What are the key properties of 5,5,8-trimethyl-6H-benzo[h]quinazolin-4-amine?
5,5,8-trimethyl-6H-benzo[h]quinazolin-4-amine has a molecular weight of 239.32 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,8-trimethyl-6H-benzo[h]quinazolin-4-amine is sourced from PubChem (CID 162650240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).