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

C19H14FN3O — CID 777975

IUPAC2-(2-fluorophenyl)-N-(furan-2-ylmethyl)quinazolin-4-amine
SMILESFc1ccccc1-c1nc(NCc2ccco2)c2ccccc2n1
InChIInChI=1S/C19H14FN3O/c20-16-9-3-1-7-14(16)19-22-17-10-4-2-8-15(17)18(23-19)21-12-13-6-5-11-24-13/h1-11H,12H2,(H,21,22,23)
InChIKeyKBSSXSWMICSZLA-UHFFFAOYSA-N
MW319.34 g/mol
LogP4.64
Rot. Bonds4

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

2-(2-fluorophenyl)-N-(furan-2-ylmethyl)quinazolin-4-amine (PubChem CID 777975) has the molecular formula C19H14FN3O and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-(furan-2-ylmethyl)quinazolin-4-amine
PubChem CID777975
Molecular FormulaC19H14FN3O
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC Name2-(2-fluorophenyl)-N-(furan-2-ylmethyl)quinazolin-4-amine
SMILESFc1ccccc1-c1nc(NCc2ccco2)c2ccccc2n1
InChIInChI=1S/C19H14FN3O/c20-16-9-3-1-7-14(16)19-22-17-10-4-2-8-15(17)18(23-19)21-12-13-6-5-11-24-13/h1-11H,12H2,(H,21,22,23)
InChIKeyKBSSXSWMICSZLA-UHFFFAOYSA-N
XLogP4.64
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)quinazolin-4-amine (CID 777975) is 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)quinazolin-4-amine is Fc1ccccc1-c1nc(NCc2ccco2)c2ccccc2n1.
What is the InChIKey of 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)quinazolin-4-amine?
The InChIKey is KBSSXSWMICSZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O/c20-16-9-3-1-7-14(16)19-22-17-10-4-2-8-15(17)18(23-19)21-12-13-6-5-11-24-13/h1-11H,12H2,(H,21,22,23).
What are the key properties of 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)quinazolin-4-amine?
2-(2-fluorophenyl)-N-(furan-2-ylmethyl)quinazolin-4-amine has a molecular weight of 319.34 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 777975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).