2-(furan-3-yl)-N-pyridin-4-ylquinazolin-4-amine

C17H12N4O — CID 3232588

IUPAC2-(furan-3-yl)-N-pyridin-4-ylquinazolin-4-amine
SMILESc1ccc2c(Nc3ccncc3)nc(-c3ccoc3)nc2c1
InChIInChI=1S/C17H12N4O/c1-2-4-15-14(3-1)17(19-13-5-8-18-9-6-13)21-16(20-15)12-7-10-22-11-12/h1-11H,(H,18,19,20,21)
InChIKeyUQXZDAGRPUPJQT-UHFFFAOYSA-N
MW288.31 g/mol
LogP4.03
Rot. Bonds3

About 2-(furan-3-yl)-N-pyridin-4-ylquinazolin-4-amine

2-(furan-3-yl)-N-pyridin-4-ylquinazolin-4-amine (PubChem CID 3232588) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-(furan-3-yl)-N-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound Name2-(furan-3-yl)-N-pyridin-4-ylquinazolin-4-amine
PubChem CID3232588
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC Name2-(furan-3-yl)-N-pyridin-4-ylquinazolin-4-amine
SMILESc1ccc2c(Nc3ccncc3)nc(-c3ccoc3)nc2c1
InChIInChI=1S/C17H12N4O/c1-2-4-15-14(3-1)17(19-13-5-8-18-9-6-13)21-16(20-15)12-7-10-22-11-12/h1-11H,(H,18,19,20,21)
InChIKeyUQXZDAGRPUPJQT-UHFFFAOYSA-N
XLogP4.03
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-N-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of 2-(furan-3-yl)-N-pyridin-4-ylquinazolin-4-amine (CID 3232588) is 2-(furan-3-yl)-N-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for 2-(furan-3-yl)-N-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for 2-(furan-3-yl)-N-pyridin-4-ylquinazolin-4-amine is c1ccc2c(Nc3ccncc3)nc(-c3ccoc3)nc2c1.
What is the InChIKey of 2-(furan-3-yl)-N-pyridin-4-ylquinazolin-4-amine?
The InChIKey is UQXZDAGRPUPJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O/c1-2-4-15-14(3-1)17(19-13-5-8-18-9-6-13)21-16(20-15)12-7-10-22-11-12/h1-11H,(H,18,19,20,21).
What are the key properties of 2-(furan-3-yl)-N-pyridin-4-ylquinazolin-4-amine?
2-(furan-3-yl)-N-pyridin-4-ylquinazolin-4-amine has a molecular weight of 288.31 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-N-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 3232588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).