N-(furan-2-ylmethyl)-2-(4-nitrophenyl)quinazolin-4-amine

C19H14N4O3 — CID 696673

IUPACN-(furan-2-ylmethyl)-2-(4-nitrophenyl)quinazolin-4-amine
SMILESO=[N+]([O-])c1ccc(-c2nc(NCc3ccco3)c3ccccc3n2)cc1
InChIInChI=1S/C19H14N4O3/c24-23(25)14-9-7-13(8-10-14)18-21-17-6-2-1-5-16(17)19(22-18)20-12-15-4-3-11-26-15/h1-11H,12H2,(H,20,21,22)
InChIKeyQOOZAJKRBANUND-UHFFFAOYSA-N
MW346.35 g/mol
LogP4.41
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(4-nitrophenyl)quinazolin-4-amine

N-(furan-2-ylmethyl)-2-(4-nitrophenyl)quinazolin-4-amine (PubChem CID 696673) has the molecular formula C19H14N4O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-nitrophenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-nitrophenyl)quinazolin-4-amine
PubChem CID696673
Molecular FormulaC19H14N4O3
Molecular Weight346.35 g/mol
Exact Mass346.11
IUPAC NameN-(furan-2-ylmethyl)-2-(4-nitrophenyl)quinazolin-4-amine
SMILESO=[N+]([O-])c1ccc(-c2nc(NCc3ccco3)c3ccccc3n2)cc1
InChIInChI=1S/C19H14N4O3/c24-23(25)14-9-7-13(8-10-14)18-21-17-6-2-1-5-16(17)19(22-18)20-12-15-4-3-11-26-15/h1-11H,12H2,(H,20,21,22)
InChIKeyQOOZAJKRBANUND-UHFFFAOYSA-N
XLogP4.41
TPSA94.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-nitrophenyl)quinazolin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-nitrophenyl)quinazolin-4-amine (CID 696673) is N-(furan-2-ylmethyl)-2-(4-nitrophenyl)quinazolin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-nitrophenyl)quinazolin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-nitrophenyl)quinazolin-4-amine is O=[N+]([O-])c1ccc(-c2nc(NCc3ccco3)c3ccccc3n2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-nitrophenyl)quinazolin-4-amine?
The InChIKey is QOOZAJKRBANUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3/c24-23(25)14-9-7-13(8-10-14)18-21-17-6-2-1-5-16(17)19(22-18)20-12-15-4-3-11-26-15/h1-11H,12H2,(H,20,21,22).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-nitrophenyl)quinazolin-4-amine?
N-(furan-2-ylmethyl)-2-(4-nitrophenyl)quinazolin-4-amine has a molecular weight of 346.35 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-nitrophenyl)quinazolin-4-amine is sourced from PubChem (CID 696673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).