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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Related Compounds

N',N'-diethyl-N-[2-(4-nitrophenyl)quinazolin-4-yl]propane-1,3-diamine;hydrochloride
CID 2792715
N-(4-methylphenyl)-2-(4-nitrophenyl)quinazolin-4-amine
CID 1187236
4-methyl-2-(4-nitrophenyl)quinazoline
CID 742061
N-(furan-2-ylmethyl)-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetamide
CID 18095906
2-[4-(furan-2-ylmethylamino)quinazolin-2-yl]-6-methoxyphenol
CID 661722
2-(4-butylphenyl)-N-(4-nitrophenyl)quinazolin-4-amine
CID 23818931
methyl 4-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]benzoate
CID 11689305
2-(4-methylphenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]quinazolin-4-amine
CID 5339803
N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydron;chloride
CID 660740
2-[(2-phenylquinazolin-4-yl)amino]acetate
CID 4053821
4-fluoro-N-[4-[[[2-(furan-2-ylmethylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide
CID 68940813
2-N-(4-chlorophenyl)-6-N-(furan-2-ylmethyl)-4-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine
CID 3116177

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).