6-(4-fluoro-1-benzofuran-7-yl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine

C22H15FN4O — CID 71181303

IUPAC6-(4-fluoro-1-benzofuran-7-yl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2ccc(-c3ccc(F)c4ccoc34)cc12
InChIInChI=1S/C22H15FN4O/c1-24-22-17-11-13(15-5-6-18(23)16-8-10-28-20(15)16)4-7-19(17)26-21(27-22)14-3-2-9-25-12-14/h2-12H,1H3,(H,24,26,27)
InChIKeyMABBUXVBDYDHMC-UHFFFAOYSA-N
MW370.39 g/mol
LogP5.29
Rot. Bonds3

About 6-(4-fluoro-1-benzofuran-7-yl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine

6-(4-fluoro-1-benzofuran-7-yl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71181303) has the molecular formula C22H15FN4O and a molecular weight of 370.39 g/mol. Its IUPAC name is 6-(4-fluoro-1-benzofuran-7-yl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-(4-fluoro-1-benzofuran-7-yl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71181303
Molecular FormulaC22H15FN4O
Molecular Weight370.39 g/mol
Exact Mass370.12
IUPAC Name6-(4-fluoro-1-benzofuran-7-yl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2ccc(-c3ccc(F)c4ccoc34)cc12
InChIInChI=1S/C22H15FN4O/c1-24-22-17-11-13(15-5-6-18(23)16-8-10-28-20(15)16)4-7-19(17)26-21(27-22)14-3-2-9-25-12-14/h2-12H,1H3,(H,24,26,27)
InChIKeyMABBUXVBDYDHMC-UHFFFAOYSA-N
XLogP5.29
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.39
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-1-benzofuran-7-yl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of 6-(4-fluoro-1-benzofuran-7-yl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine (CID 71181303) is 6-(4-fluoro-1-benzofuran-7-yl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for 6-(4-fluoro-1-benzofuran-7-yl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for 6-(4-fluoro-1-benzofuran-7-yl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine is CNc1nc(-c2cccnc2)nc2ccc(-c3ccc(F)c4ccoc34)cc12.
What is the InChIKey of 6-(4-fluoro-1-benzofuran-7-yl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is MABBUXVBDYDHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4O/c1-24-22-17-11-13(15-5-6-18(23)16-8-10-28-20(15)16)4-7-19(17)26-21(27-22)14-3-2-9-25-12-14/h2-12H,1H3,(H,24,26,27).
What are the key properties of 6-(4-fluoro-1-benzofuran-7-yl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
6-(4-fluoro-1-benzofuran-7-yl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 370.39 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-1-benzofuran-7-yl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71181303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).