6-(furan-2-yl)-N-(4-phenoxyphenyl)quinolin-4-amine

C25H18N2O2 — CID 44532133

IUPAC6-(furan-2-yl)-N-(4-phenoxyphenyl)quinolin-4-amine
SMILESc1ccc(Oc2ccc(Nc3ccnc4ccc(-c5ccco5)cc34)cc2)cc1
InChIInChI=1S/C25H18N2O2/c1-2-5-20(6-3-1)29-21-11-9-19(10-12-21)27-24-14-15-26-23-13-8-18(17-22(23)24)25-7-4-16-28-25/h1-17H,(H,26,27)
InChIKeyFWHZOUIAGANJLQ-UHFFFAOYSA-N
MW378.43 g/mol
LogP7.03
Rot. Bonds5

About 6-(furan-2-yl)-N-(4-phenoxyphenyl)quinolin-4-amine

6-(furan-2-yl)-N-(4-phenoxyphenyl)quinolin-4-amine (PubChem CID 44532133) has the molecular formula C25H18N2O2 and a molecular weight of 378.43 g/mol. Its IUPAC name is 6-(furan-2-yl)-N-(4-phenoxyphenyl)quinolin-4-amine.

Molecular Properties

Compound Name6-(furan-2-yl)-N-(4-phenoxyphenyl)quinolin-4-amine
PubChem CID44532133
Molecular FormulaC25H18N2O2
Molecular Weight378.43 g/mol
Exact Mass378.14
IUPAC Name6-(furan-2-yl)-N-(4-phenoxyphenyl)quinolin-4-amine
SMILESc1ccc(Oc2ccc(Nc3ccnc4ccc(-c5ccco5)cc34)cc2)cc1
InChIInChI=1S/C25H18N2O2/c1-2-5-20(6-3-1)29-21-11-9-19(10-12-21)27-24-14-15-26-23-13-8-18(17-22(23)24)25-7-4-16-28-25/h1-17H,(H,26,27)
InChIKeyFWHZOUIAGANJLQ-UHFFFAOYSA-N
XLogP7.03
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-N-(4-phenoxyphenyl)quinolin-4-amine?
The IUPAC name of 6-(furan-2-yl)-N-(4-phenoxyphenyl)quinolin-4-amine (CID 44532133) is 6-(furan-2-yl)-N-(4-phenoxyphenyl)quinolin-4-amine.
What is the SMILES notation for 6-(furan-2-yl)-N-(4-phenoxyphenyl)quinolin-4-amine?
The canonical SMILES for 6-(furan-2-yl)-N-(4-phenoxyphenyl)quinolin-4-amine is c1ccc(Oc2ccc(Nc3ccnc4ccc(-c5ccco5)cc34)cc2)cc1.
What is the InChIKey of 6-(furan-2-yl)-N-(4-phenoxyphenyl)quinolin-4-amine?
The InChIKey is FWHZOUIAGANJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O2/c1-2-5-20(6-3-1)29-21-11-9-19(10-12-21)27-24-14-15-26-23-13-8-18(17-22(23)24)25-7-4-16-28-25/h1-17H,(H,26,27).
What are the key properties of 6-(furan-2-yl)-N-(4-phenoxyphenyl)quinolin-4-amine?
6-(furan-2-yl)-N-(4-phenoxyphenyl)quinolin-4-amine has a molecular weight of 378.43 g/mol, XLogP of 7.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-N-(4-phenoxyphenyl)quinolin-4-amine is sourced from PubChem (CID 44532133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).