7-fluoro-4-[4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl]-6-(furan-2-yl)quinazoline

C26H15F5N2O2 — CID 54243989

IUPAC7-fluoro-4-[4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl]-6-(furan-2-yl)quinazoline
SMILESFc1cccc(COc2ccc(-c3ncnc4cc(F)c(-c5ccco5)cc34)cc2C(F)(F)F)c1
InChIInChI=1S/C26H15F5N2O2/c27-17-4-1-3-15(9-17)13-35-24-7-6-16(10-20(24)26(29,30)31)25-19-11-18(23-5-2-8-34-23)21(28)12-22(19)32-14-33-25/h1-12,14H,13H2
InChIKeyQRYIOELBNPCDBP-UHFFFAOYSA-N
MW482.41 g/mol
LogP7.43
Rot. Bonds5

About 7-fluoro-4-[4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl]-6-(furan-2-yl)quinazoline

7-fluoro-4-[4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl]-6-(furan-2-yl)quinazoline (PubChem CID 54243989) has the molecular formula C26H15F5N2O2 and a molecular weight of 482.41 g/mol. Its IUPAC name is 7-fluoro-4-[4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl]-6-(furan-2-yl)quinazoline.

Molecular Properties

Compound Name7-fluoro-4-[4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl]-6-(furan-2-yl)quinazoline
PubChem CID54243989
Molecular FormulaC26H15F5N2O2
Molecular Weight482.41 g/mol
Exact Mass482.11
IUPAC Name7-fluoro-4-[4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl]-6-(furan-2-yl)quinazoline
SMILESFc1cccc(COc2ccc(-c3ncnc4cc(F)c(-c5ccco5)cc34)cc2C(F)(F)F)c1
InChIInChI=1S/C26H15F5N2O2/c27-17-4-1-3-15(9-17)13-35-24-7-6-16(10-20(24)26(29,30)31)25-19-11-18(23-5-2-8-34-23)21(28)12-22(19)32-14-33-25/h1-12,14H,13H2
InChIKeyQRYIOELBNPCDBP-UHFFFAOYSA-N
XLogP7.43
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.41
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-4-[4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl]-6-(furan-2-yl)quinazoline with MolForge

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Related Compounds

(4-Benzyloxy-phenyl)-(6-furan-2-yl-quinazolin-4-yl)-amine
CID 22609796
6-(furan-3-yl)-N-phenylquinazolin-4-amine
CID 3232653
N-(2-furanylmethyl)-6-(3-methoxyphenyl)-N-methyl-4-quinazolinamine
CID 3233276
6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine
CID 3233956
6-(3-furanyl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine
CID 3234345
N-[(2,4-dimethoxyphenyl)methyl]-6-(furan-3-yl)quinazolin-4-amine
CID 3234647
6-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 3234739
N-tert-butyl-6-(furan-2-yl)-2-(trifluoromethyl)quinazolin-4-amine
CID 5330919
1-[4-Methoxy-3-(quinazolin-4-yloxymethyl)phenyl]ethanone
CID 2462898
N-(furan-2-ylmethyl)-N-methyl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 3233017
4-[6-(Furan-3-yl)quinazolin-4-yl]morpholine
CID 3233553
N-(4-fluorophenyl)-6-(furan-3-yl)quinazolin-4-amine
CID 3234899

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-[4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl]-6-(furan-2-yl)quinazoline?
The IUPAC name of 7-fluoro-4-[4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl]-6-(furan-2-yl)quinazoline (CID 54243989) is 7-fluoro-4-[4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl]-6-(furan-2-yl)quinazoline.
What is the SMILES notation for 7-fluoro-4-[4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl]-6-(furan-2-yl)quinazoline?
The canonical SMILES for 7-fluoro-4-[4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl]-6-(furan-2-yl)quinazoline is Fc1cccc(COc2ccc(-c3ncnc4cc(F)c(-c5ccco5)cc34)cc2C(F)(F)F)c1.
What is the InChIKey of 7-fluoro-4-[4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl]-6-(furan-2-yl)quinazoline?
The InChIKey is QRYIOELBNPCDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15F5N2O2/c27-17-4-1-3-15(9-17)13-35-24-7-6-16(10-20(24)26(29,30)31)25-19-11-18(23-5-2-8-34-23)21(28)12-22(19)32-14-33-25/h1-12,14H,13H2.
What are the key properties of 7-fluoro-4-[4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl]-6-(furan-2-yl)quinazoline?
7-fluoro-4-[4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl]-6-(furan-2-yl)quinazoline has a molecular weight of 482.41 g/mol, XLogP of 7.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-[4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl]-6-(furan-2-yl)quinazoline is sourced from PubChem (CID 54243989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).