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

C25H18FN3O2 — CID 141012706

IUPACN-[4-[(3-fluorophenyl)methoxy]phenyl]-6-(furan-2-yl)quinazolin-4-amine
SMILESFc1cccc(COc2ccc(Nc3ncnc4ccc(-c5ccco5)cc34)cc2)c1
InChIInChI=1S/C25H18FN3O2/c26-19-4-1-3-17(13-19)15-31-21-9-7-20(8-10-21)29-25-22-14-18(24-5-2-12-30-24)6-11-23(22)27-16-28-25/h1-14,16H,15H2,(H,27,28,29)
InChIKeyKAKZBWJERSXJJH-UHFFFAOYSA-N
MW411.44 g/mol
LogP6.35
Rot. Bonds6

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

N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-(furan-2-yl)quinazolin-4-amine (PubChem CID 141012706) has the molecular formula C25H18FN3O2 and a molecular weight of 411.44 g/mol. Its IUPAC name is N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-(furan-2-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[4-[(3-fluorophenyl)methoxy]phenyl]-6-(furan-2-yl)quinazolin-4-amine
PubChem CID141012706
Molecular FormulaC25H18FN3O2
Molecular Weight411.44 g/mol
Exact Mass411.14
IUPAC NameN-[4-[(3-fluorophenyl)methoxy]phenyl]-6-(furan-2-yl)quinazolin-4-amine
SMILESFc1cccc(COc2ccc(Nc3ncnc4ccc(-c5ccco5)cc34)cc2)c1
InChIInChI=1S/C25H18FN3O2/c26-19-4-1-3-17(13-19)15-31-21-9-7-20(8-10-21)29-25-22-14-18(24-5-2-12-30-24)6-11-23(22)27-16-28-25/h1-14,16H,15H2,(H,27,28,29)
InChIKeyKAKZBWJERSXJJH-UHFFFAOYSA-N
XLogP6.35
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.44
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 54550318
4-N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 22112855
5-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]-N-hydroxyfuran-2-carboxamide
CID 143805213
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(4-ethylphenyl)quinazolin-4-amine;ethane
CID 171539522
6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]quinazolin-4-amine
CID 71072748
N-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)quinazolin-4-amine
CID 56981677
6-methylsulfanyl-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 57260574
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-quinolin-5-ylquinazolin-4-amine
CID 71662068
2-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methylamino]ethyl-oxosulfanium
CID 174069350
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(4-methylsulfonylphenyl)quinazolin-4-amine
CID 71662570
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[(1,1-dideuterio-2-methylsulfonylethyl)amino]methyl]furan-2-yl]quinazolin-4-amine
CID 52913610
6-[5-[[[(E)-but-2-enyl]amino]methyl]furan-2-yl]-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]quinazolin-4-amine
CID 90196894

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-(furan-2-yl)quinazolin-4-amine?
The IUPAC name of N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-(furan-2-yl)quinazolin-4-amine (CID 141012706) is N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-(furan-2-yl)quinazolin-4-amine.
What is the SMILES notation for N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-(furan-2-yl)quinazolin-4-amine?
The canonical SMILES for N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-(furan-2-yl)quinazolin-4-amine is Fc1cccc(COc2ccc(Nc3ncnc4ccc(-c5ccco5)cc34)cc2)c1.
What is the InChIKey of N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-(furan-2-yl)quinazolin-4-amine?
The InChIKey is KAKZBWJERSXJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3O2/c26-19-4-1-3-17(13-19)15-31-21-9-7-20(8-10-21)29-25-22-14-18(24-5-2-12-30-24)6-11-23(22)27-16-28-25/h1-14,16H,15H2,(H,27,28,29).
What are the key properties of N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-(furan-2-yl)quinazolin-4-amine?
N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-(furan-2-yl)quinazolin-4-amine has a molecular weight of 411.44 g/mol, XLogP of 6.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-(furan-2-yl)quinazolin-4-amine is sourced from PubChem (CID 141012706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).