naphtho[2,1-f]quinazoline-2,4-diamine

C16H12N4 — CID 23648041

IUPACnaphtho[2,1-f]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(ccc3c4ccccc4ccc32)n1
InChIInChI=1S/C16H12N4/c17-15-14-12-6-5-9-3-1-2-4-10(9)11(12)7-8-13(14)19-16(18)20-15/h1-8H,(H4,17,18,19,20)
InChIKeyJEWVEYROVOHHJV-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.10
Rot. Bonds

About naphtho[2,1-f]quinazoline-2,4-diamine

naphtho[2,1-f]quinazoline-2,4-diamine (PubChem CID 23648041) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is naphtho[2,1-f]quinazoline-2,4-diamine.

Molecular Properties

Compound Namenaphtho[2,1-f]quinazoline-2,4-diamine
PubChem CID23648041
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Namenaphtho[2,1-f]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(ccc3c4ccccc4ccc32)n1
InChIInChI=1S/C16H12N4/c17-15-14-12-6-5-9-3-1-2-4-10(9)11(12)7-8-13(14)19-16(18)20-15/h1-8H,(H4,17,18,19,20)
InChIKeyJEWVEYROVOHHJV-UHFFFAOYSA-N
XLogP3.10
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of naphtho[2,1-f]quinazoline-2,4-diamine?
The IUPAC name of naphtho[2,1-f]quinazoline-2,4-diamine (CID 23648041) is naphtho[2,1-f]quinazoline-2,4-diamine.
What is the SMILES notation for naphtho[2,1-f]quinazoline-2,4-diamine?
The canonical SMILES for naphtho[2,1-f]quinazoline-2,4-diamine is Nc1nc(N)c2c(ccc3c4ccccc4ccc32)n1.
What is the InChIKey of naphtho[2,1-f]quinazoline-2,4-diamine?
The InChIKey is JEWVEYROVOHHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c17-15-14-12-6-5-9-3-1-2-4-10(9)11(12)7-8-13(14)19-16(18)20-15/h1-8H,(H4,17,18,19,20).
What are the key properties of naphtho[2,1-f]quinazoline-2,4-diamine?
naphtho[2,1-f]quinazoline-2,4-diamine has a molecular weight of 260.30 g/mol, XLogP of 3.10, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphtho[2,1-f]quinazoline-2,4-diamine is sourced from PubChem (CID 23648041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).