7-tert-butyl-4-methylidene-4aH-benzo[g]quinazolin-2-amine

C17H19N3 — CID 126722733

IUPAC7-tert-butyl-4-methylidene-4aH-benzo[g]quinazolin-2-amine
SMILESC=C1N=C(N)N=C2C=c3ccc(C(C)(C)C)cc3=CC12
InChIInChI=1S/C17H19N3/c1-10-14-8-12-7-13(17(2,3)4)6-5-11(12)9-15(14)20-16(18)19-10/h5-9,14H,1H2,2-4H3,(H2,18,19)
InChIKeyIEURUMZGNZRXPQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.46
Rot. Bonds

About 7-tert-butyl-4-methylidene-4aH-benzo[g]quinazolin-2-amine

7-tert-butyl-4-methylidene-4aH-benzo[g]quinazolin-2-amine (PubChem CID 126722733) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 7-tert-butyl-4-methylidene-4aH-benzo[g]quinazolin-2-amine.

Molecular Properties

Compound Name7-tert-butyl-4-methylidene-4aH-benzo[g]quinazolin-2-amine
PubChem CID126722733
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name7-tert-butyl-4-methylidene-4aH-benzo[g]quinazolin-2-amine
SMILESC=C1N=C(N)N=C2C=c3ccc(C(C)(C)C)cc3=CC12
InChIInChI=1S/C17H19N3/c1-10-14-8-12-7-13(17(2,3)4)6-5-11(12)9-15(14)20-16(18)19-10/h5-9,14H,1H2,2-4H3,(H2,18,19)
InChIKeyIEURUMZGNZRXPQ-UHFFFAOYSA-N
XLogP1.46
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-tert-butyl-4-methylidene-4aH-benzo[g]quinazolin-2-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 7-tert-butyl-4-methylidene-4aH-benzo[g]quinazolin-2-amine?
The IUPAC name of 7-tert-butyl-4-methylidene-4aH-benzo[g]quinazolin-2-amine (CID 126722733) is 7-tert-butyl-4-methylidene-4aH-benzo[g]quinazolin-2-amine.
What is the SMILES notation for 7-tert-butyl-4-methylidene-4aH-benzo[g]quinazolin-2-amine?
The canonical SMILES for 7-tert-butyl-4-methylidene-4aH-benzo[g]quinazolin-2-amine is C=C1N=C(N)N=C2C=c3ccc(C(C)(C)C)cc3=CC12.
What is the InChIKey of 7-tert-butyl-4-methylidene-4aH-benzo[g]quinazolin-2-amine?
The InChIKey is IEURUMZGNZRXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-10-14-8-12-7-13(17(2,3)4)6-5-11(12)9-15(14)20-16(18)19-10/h5-9,14H,1H2,2-4H3,(H2,18,19).
What are the key properties of 7-tert-butyl-4-methylidene-4aH-benzo[g]quinazolin-2-amine?
7-tert-butyl-4-methylidene-4aH-benzo[g]quinazolin-2-amine has a molecular weight of 265.36 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-4-methylidene-4aH-benzo[g]quinazolin-2-amine is sourced from PubChem (CID 126722733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).