6-fluoro-N-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]quinazolin-2-amine

C20H14FN3O — CID 141258623

IUPAC6-fluoro-N-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]quinazolin-2-amine
SMILESFc1ccc2nc(Nc3ccc(/C=C/c4ccco4)cc3)ncc2c1
InChIInChI=1S/C20H14FN3O/c21-16-6-10-19-15(12-16)13-22-20(24-19)23-17-7-3-14(4-8-17)5-9-18-2-1-11-25-18/h1-13H,(H,22,23,24)/b9-5+
InChIKeyDYEZPELEKNMAPJ-WEVVVXLNSA-N
MW331.35 g/mol
LogP5.28
Rot. Bonds4

About 6-fluoro-N-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]quinazolin-2-amine

6-fluoro-N-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]quinazolin-2-amine (PubChem CID 141258623) has the molecular formula C20H14FN3O and a molecular weight of 331.35 g/mol. Its IUPAC name is 6-fluoro-N-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]quinazolin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]quinazolin-2-amine
PubChem CID141258623
Molecular FormulaC20H14FN3O
Molecular Weight331.35 g/mol
Exact Mass331.11
IUPAC Name6-fluoro-N-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]quinazolin-2-amine
SMILESFc1ccc2nc(Nc3ccc(/C=C/c4ccco4)cc3)ncc2c1
InChIInChI=1S/C20H14FN3O/c21-16-6-10-19-15(12-16)13-22-20(24-19)23-17-7-3-14(4-8-17)5-9-18-2-1-11-25-18/h1-13H,(H,22,23,24)/b9-5+
InChIKeyDYEZPELEKNMAPJ-WEVVVXLNSA-N
XLogP5.28
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.35
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N2-(4-Fluorophenyl)-N4-(furan-2-ylmethyl)quinazoline-2,4-diamine hydrochloride
CID 2908985
CID 2910633
CID 2910633
2-Chloro-N-[(furan-2-yl)methyl]quinazolin-4-amine
CID 1599048
N~4~-(2-furylmethyl)-N~2~-(2-methylphenyl)-2,4-quinazolinediamine hydrochloride
CID 2908311
N-[(Furan-2-Yl)methyl]-2-Phenylquinazolin-4-Amine
CID 719250
(4-Benzyloxy-phenyl)-(6-furan-2-yl-quinazolin-4-yl)-amine
CID 22609796
7-(furan-2-yl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 665400
2-[(4-fluorophenyl)amino]-7-(furan-2-yl)-7,8-dihydroquinazolin-5(6H)-one
CID 665489
2-[(4-ethylphenyl)amino]-7-(2-furyl)-7,8-dihydroquinazolin-5(6H)-one
CID 665816
N2-(4-fluorophenyl)-N4-(furan-2-ylmethyl)quinazoline-2,4-diamine
CID 797083
N~4~-(furan-2-ylmethyl)-N~2~-(4-methylphenyl)quinazoline-2,4-diamine
CID 886392
4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 940433

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]quinazolin-2-amine?
The IUPAC name of 6-fluoro-N-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]quinazolin-2-amine (CID 141258623) is 6-fluoro-N-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]quinazolin-2-amine.
What is the SMILES notation for 6-fluoro-N-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]quinazolin-2-amine?
The canonical SMILES for 6-fluoro-N-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]quinazolin-2-amine is Fc1ccc2nc(Nc3ccc(/C=C/c4ccco4)cc3)ncc2c1.
What is the InChIKey of 6-fluoro-N-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]quinazolin-2-amine?
The InChIKey is DYEZPELEKNMAPJ-WEVVVXLNSA-N. The full InChI is InChI=1S/C20H14FN3O/c21-16-6-10-19-15(12-16)13-22-20(24-19)23-17-7-3-14(4-8-17)5-9-18-2-1-11-25-18/h1-13H,(H,22,23,24)/b9-5+.
What are the key properties of 6-fluoro-N-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]quinazolin-2-amine?
6-fluoro-N-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]quinazolin-2-amine has a molecular weight of 331.35 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]quinazolin-2-amine is sourced from PubChem (CID 141258623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).