6-(furan-2-yl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine

C25H19N3O2 — CID 22609796

IUPAC6-(furan-2-yl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
SMILESc1ccc(COc2ccc(Nc3ncnc4ccc(-c5ccco5)cc34)cc2)cc1
InChIInChI=1S/C25H19N3O2/c1-2-5-18(6-3-1)16-30-21-11-9-20(10-12-21)28-25-22-15-19(24-7-4-14-29-24)8-13-23(22)26-17-27-25/h1-15,17H,16H2,(H,26,27,28)
InChIKeyCJQVGTFFDYKCRG-UHFFFAOYSA-N
MW393.45 g/mol
LogP6.21
Rot. Bonds6

About 6-(furan-2-yl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine

6-(furan-2-yl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine (PubChem CID 22609796) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 6-(furan-2-yl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(furan-2-yl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
PubChem CID22609796
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC Name6-(furan-2-yl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
SMILESc1ccc(COc2ccc(Nc3ncnc4ccc(-c5ccco5)cc34)cc2)cc1
InChIInChI=1S/C25H19N3O2/c1-2-5-18(6-3-1)16-30-21-11-9-20(10-12-21)28-25-22-15-19(24-7-4-14-29-24)8-13-23(22)26-17-27-25/h1-15,17H,16H2,(H,26,27,28)
InChIKeyCJQVGTFFDYKCRG-UHFFFAOYSA-N
XLogP6.21
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(furan-2-yl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine?
The IUPAC name of 6-(furan-2-yl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine (CID 22609796) is 6-(furan-2-yl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 6-(furan-2-yl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 6-(furan-2-yl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine is c1ccc(COc2ccc(Nc3ncnc4ccc(-c5ccco5)cc34)cc2)cc1.
What is the InChIKey of 6-(furan-2-yl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine?
The InChIKey is CJQVGTFFDYKCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2/c1-2-5-18(6-3-1)16-30-21-11-9-20(10-12-21)28-25-22-15-19(24-7-4-14-29-24)8-13-23(22)26-17-27-25/h1-15,17H,16H2,(H,26,27,28).
What are the key properties of 6-(furan-2-yl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine?
6-(furan-2-yl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine has a molecular weight of 393.45 g/mol, XLogP of 6.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 22609796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).