N-[(3-fluorophenyl)methyl]-6-(furan-2-yl)quinazolin-4-amine

C19H14FN3O — CID 45485152

IUPACN-[(3-fluorophenyl)methyl]-6-(furan-2-yl)quinazolin-4-amine
SMILESFc1cccc(CNc2ncnc3ccc(-c4ccco4)cc23)c1
InChIInChI=1S/C19H14FN3O/c20-15-4-1-3-13(9-15)11-21-19-16-10-14(18-5-2-8-24-18)6-7-17(16)22-12-23-19/h1-10,12H,11H2,(H,21,22,23)
InChIKeyHEVDIYKMXIBEAW-UHFFFAOYSA-N
MW319.34 g/mol
LogP4.64
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-6-(furan-2-yl)quinazolin-4-amine

N-[(3-fluorophenyl)methyl]-6-(furan-2-yl)quinazolin-4-amine (PubChem CID 45485152) has the molecular formula C19H14FN3O and a molecular weight of 319.34 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-6-(furan-2-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-6-(furan-2-yl)quinazolin-4-amine
PubChem CID45485152
Molecular FormulaC19H14FN3O
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC NameN-[(3-fluorophenyl)methyl]-6-(furan-2-yl)quinazolin-4-amine
SMILESFc1cccc(CNc2ncnc3ccc(-c4ccco4)cc23)c1
InChIInChI=1S/C19H14FN3O/c20-15-4-1-3-13(9-15)11-21-19-16-10-14(18-5-2-8-24-18)6-7-17(16)22-12-23-19/h1-10,12H,11H2,(H,21,22,23)
InChIKeyHEVDIYKMXIBEAW-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 N-[(3-fluorophenyl)methyl]-6-(furan-2-yl)quinazolin-4-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-6-(furan-2-yl)quinazolin-4-amine (CID 45485152) is N-[(3-fluorophenyl)methyl]-6-(furan-2-yl)quinazolin-4-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-6-(furan-2-yl)quinazolin-4-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-6-(furan-2-yl)quinazolin-4-amine is Fc1cccc(CNc2ncnc3ccc(-c4ccco4)cc23)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-6-(furan-2-yl)quinazolin-4-amine?
The InChIKey is HEVDIYKMXIBEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O/c20-15-4-1-3-13(9-15)11-21-19-16-10-14(18-5-2-8-24-18)6-7-17(16)22-12-23-19/h1-10,12H,11H2,(H,21,22,23).
What are the key properties of N-[(3-fluorophenyl)methyl]-6-(furan-2-yl)quinazolin-4-amine?
N-[(3-fluorophenyl)methyl]-6-(furan-2-yl)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 N-[(3-fluorophenyl)methyl]-6-(furan-2-yl)quinazolin-4-amine is sourced from PubChem (CID 45485152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).