7,8,9,10-tetrahydrobenzo[f]quinazoline-1,3-diamine

C12H14N4 — CID 19776218

IUPAC7,8,9,10-tetrahydrobenzo[f]quinazoline-1,3-diamine
SMILESNc1nc(N)c2c3c(ccc2n1)CCCC3
InChIInChI=1S/C12H14N4/c13-11-10-8-4-2-1-3-7(8)5-6-9(10)15-12(14)16-11/h5-6H,1-4H2,(H4,13,14,15,16)
InChIKeyAYPYYNXIBWIUDU-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.67
Rot. Bonds

About 7,8,9,10-tetrahydrobenzo[f]quinazoline-1,3-diamine

7,8,9,10-tetrahydrobenzo[f]quinazoline-1,3-diamine (PubChem CID 19776218) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 7,8,9,10-tetrahydrobenzo[f]quinazoline-1,3-diamine.

Molecular Properties

Compound Name7,8,9,10-tetrahydrobenzo[f]quinazoline-1,3-diamine
PubChem CID19776218
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name7,8,9,10-tetrahydrobenzo[f]quinazoline-1,3-diamine
SMILESNc1nc(N)c2c3c(ccc2n1)CCCC3
InChIInChI=1S/C12H14N4/c13-11-10-8-4-2-1-3-7(8)5-6-9(10)15-12(14)16-11/h5-6H,1-4H2,(H4,13,14,15,16)
InChIKeyAYPYYNXIBWIUDU-UHFFFAOYSA-N
XLogP1.67
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7,8,9,10-tetrahydrobenzo[f]quinazoline-1,3-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 7,8,9,10-tetrahydrobenzo[f]quinazoline-1,3-diamine?
The IUPAC name of 7,8,9,10-tetrahydrobenzo[f]quinazoline-1,3-diamine (CID 19776218) is 7,8,9,10-tetrahydrobenzo[f]quinazoline-1,3-diamine.
What is the SMILES notation for 7,8,9,10-tetrahydrobenzo[f]quinazoline-1,3-diamine?
The canonical SMILES for 7,8,9,10-tetrahydrobenzo[f]quinazoline-1,3-diamine is Nc1nc(N)c2c3c(ccc2n1)CCCC3.
What is the InChIKey of 7,8,9,10-tetrahydrobenzo[f]quinazoline-1,3-diamine?
The InChIKey is AYPYYNXIBWIUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c13-11-10-8-4-2-1-3-7(8)5-6-9(10)15-12(14)16-11/h5-6H,1-4H2,(H4,13,14,15,16).
What are the key properties of 7,8,9,10-tetrahydrobenzo[f]quinazoline-1,3-diamine?
7,8,9,10-tetrahydrobenzo[f]quinazoline-1,3-diamine has a molecular weight of 214.27 g/mol, XLogP of 1.67, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,9,10-tetrahydrobenzo[f]quinazoline-1,3-diamine is sourced from PubChem (CID 19776218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).