N-(4-fluorophenyl)-2-(furan-3-yl)quinazolin-4-amine

C18H12FN3O — CID 3234124

IUPACN-(4-fluorophenyl)-2-(furan-3-yl)quinazolin-4-amine
SMILESFc1ccc(Nc2nc(-c3ccoc3)nc3ccccc23)cc1
InChIInChI=1S/C18H12FN3O/c19-13-5-7-14(8-6-13)20-18-15-3-1-2-4-16(15)21-17(22-18)12-9-10-23-11-12/h1-11H,(H,20,21,22)
InChIKeyDNALVIRHKSVJHJ-UHFFFAOYSA-N
MW305.31 g/mol
LogP4.77
Rot. Bonds3

About N-(4-fluorophenyl)-2-(furan-3-yl)quinazolin-4-amine

N-(4-fluorophenyl)-2-(furan-3-yl)quinazolin-4-amine (PubChem CID 3234124) has the molecular formula C18H12FN3O and a molecular weight of 305.31 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(furan-3-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(furan-3-yl)quinazolin-4-amine
PubChem CID3234124
Molecular FormulaC18H12FN3O
Molecular Weight305.31 g/mol
Exact Mass305.10
IUPAC NameN-(4-fluorophenyl)-2-(furan-3-yl)quinazolin-4-amine
SMILESFc1ccc(Nc2nc(-c3ccoc3)nc3ccccc23)cc1
InChIInChI=1S/C18H12FN3O/c19-13-5-7-14(8-6-13)20-18-15-3-1-2-4-16(15)21-17(22-18)12-9-10-23-11-12/h1-11H,(H,20,21,22)
InChIKeyDNALVIRHKSVJHJ-UHFFFAOYSA-N
XLogP4.77
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(furan-3-yl)quinazolin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-2-(furan-3-yl)quinazolin-4-amine (CID 3234124) is N-(4-fluorophenyl)-2-(furan-3-yl)quinazolin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-2-(furan-3-yl)quinazolin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-2-(furan-3-yl)quinazolin-4-amine is Fc1ccc(Nc2nc(-c3ccoc3)nc3ccccc23)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(furan-3-yl)quinazolin-4-amine?
The InChIKey is DNALVIRHKSVJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O/c19-13-5-7-14(8-6-13)20-18-15-3-1-2-4-16(15)21-17(22-18)12-9-10-23-11-12/h1-11H,(H,20,21,22).
What are the key properties of N-(4-fluorophenyl)-2-(furan-3-yl)quinazolin-4-amine?
N-(4-fluorophenyl)-2-(furan-3-yl)quinazolin-4-amine has a molecular weight of 305.31 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(furan-3-yl)quinazolin-4-amine is sourced from PubChem (CID 3234124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).