naphtho[1,2-g]quinazoline-9,11-diamine

C16H12N4 — CID 23648040

IUPACnaphtho[1,2-g]quinazoline-9,11-diamine
SMILESNc1nc(N)c2cc3c(ccc4ccccc43)cc2n1
InChIInChI=1S/C16H12N4/c17-15-13-8-12-10(7-14(13)19-16(18)20-15)6-5-9-3-1-2-4-11(9)12/h1-8H,(H4,17,18,19,20)
InChIKeyKLHFKOIXEQVMKJ-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.10
Rot. Bonds

About naphtho[1,2-g]quinazoline-9,11-diamine

naphtho[1,2-g]quinazoline-9,11-diamine (PubChem CID 23648040) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is naphtho[1,2-g]quinazoline-9,11-diamine.

Molecular Properties

Compound Namenaphtho[1,2-g]quinazoline-9,11-diamine
PubChem CID23648040
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Namenaphtho[1,2-g]quinazoline-9,11-diamine
SMILESNc1nc(N)c2cc3c(ccc4ccccc43)cc2n1
InChIInChI=1S/C16H12N4/c17-15-13-8-12-10(7-14(13)19-16(18)20-15)6-5-9-3-1-2-4-11(9)12/h1-8H,(H4,17,18,19,20)
InChIKeyKLHFKOIXEQVMKJ-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_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of naphtho[1,2-g]quinazoline-9,11-diamine?
The IUPAC name of naphtho[1,2-g]quinazoline-9,11-diamine (CID 23648040) is naphtho[1,2-g]quinazoline-9,11-diamine.
What is the SMILES notation for naphtho[1,2-g]quinazoline-9,11-diamine?
The canonical SMILES for naphtho[1,2-g]quinazoline-9,11-diamine is Nc1nc(N)c2cc3c(ccc4ccccc43)cc2n1.
What is the InChIKey of naphtho[1,2-g]quinazoline-9,11-diamine?
The InChIKey is KLHFKOIXEQVMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c17-15-13-8-12-10(7-14(13)19-16(18)20-15)6-5-9-3-1-2-4-11(9)12/h1-8H,(H4,17,18,19,20).
What are the key properties of naphtho[1,2-g]quinazoline-9,11-diamine?
naphtho[1,2-g]quinazoline-9,11-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[1,2-g]quinazoline-9,11-diamine is sourced from PubChem (CID 23648040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).