3-benzylimidazo[4,5-f]quinazoline-7,9-diamine

C16H14N6 — CID 44531661

IUPAC3-benzylimidazo[4,5-f]quinazoline-7,9-diamine
SMILESNc1nc(N)c2c(ccc3c2ncn3Cc2ccccc2)n1
InChIInChI=1S/C16H14N6/c17-15-13-11(20-16(18)21-15)6-7-12-14(13)19-9-22(12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H4,17,18,20,21)
InChIKeyAGRYMOXRDCJXSA-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.19
Rot. Bonds2

About 3-benzylimidazo[4,5-f]quinazoline-7,9-diamine

3-benzylimidazo[4,5-f]quinazoline-7,9-diamine (PubChem CID 44531661) has the molecular formula C16H14N6 and a molecular weight of 290.33 g/mol. Its IUPAC name is 3-benzylimidazo[4,5-f]quinazoline-7,9-diamine.

Molecular Properties

Compound Name3-benzylimidazo[4,5-f]quinazoline-7,9-diamine
PubChem CID44531661
Molecular FormulaC16H14N6
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name3-benzylimidazo[4,5-f]quinazoline-7,9-diamine
SMILESNc1nc(N)c2c(ccc3c2ncn3Cc2ccccc2)n1
InChIInChI=1S/C16H14N6/c17-15-13-11(20-16(18)21-15)6-7-12-14(13)19-9-22(12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H4,17,18,20,21)
InChIKeyAGRYMOXRDCJXSA-UHFFFAOYSA-N
XLogP2.19
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-benzylimidazo[4,5-f]quinazoline-7,9-diamine 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 3-benzylimidazo[4,5-f]quinazoline-7,9-diamine?
The IUPAC name of 3-benzylimidazo[4,5-f]quinazoline-7,9-diamine (CID 44531661) is 3-benzylimidazo[4,5-f]quinazoline-7,9-diamine.
What is the SMILES notation for 3-benzylimidazo[4,5-f]quinazoline-7,9-diamine?
The canonical SMILES for 3-benzylimidazo[4,5-f]quinazoline-7,9-diamine is Nc1nc(N)c2c(ccc3c2ncn3Cc2ccccc2)n1.
What is the InChIKey of 3-benzylimidazo[4,5-f]quinazoline-7,9-diamine?
The InChIKey is AGRYMOXRDCJXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6/c17-15-13-11(20-16(18)21-15)6-7-12-14(13)19-9-22(12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H4,17,18,20,21).
What are the key properties of 3-benzylimidazo[4,5-f]quinazoline-7,9-diamine?
3-benzylimidazo[4,5-f]quinazoline-7,9-diamine has a molecular weight of 290.33 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylimidazo[4,5-f]quinazoline-7,9-diamine is sourced from PubChem (CID 44531661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).