7-fluoro-6-(3-fluorophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine

C20H14F2N4 — CID 71151562

IUPAC7-fluoro-6-(3-fluorophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2cc(F)c(-c3cccc(F)c3)cc12
InChIInChI=1S/C20H14F2N4/c1-23-20-16-9-15(12-4-2-6-14(21)8-12)17(22)10-18(16)25-19(26-20)13-5-3-7-24-11-13/h2-11H,1H3,(H,23,25,26)
InChIKeyVBHDMUVJSWTSFI-UHFFFAOYSA-N
MW348.36 g/mol
LogP4.68
Rot. Bonds3

About 7-fluoro-6-(3-fluorophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine

7-fluoro-6-(3-fluorophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71151562) has the molecular formula C20H14F2N4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 7-fluoro-6-(3-fluorophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound Name7-fluoro-6-(3-fluorophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71151562
Molecular FormulaC20H14F2N4
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name7-fluoro-6-(3-fluorophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2cc(F)c(-c3cccc(F)c3)cc12
InChIInChI=1S/C20H14F2N4/c1-23-20-16-9-15(12-4-2-6-14(21)8-12)17(22)10-18(16)25-19(26-20)13-5-3-7-24-11-13/h2-11H,1H3,(H,23,25,26)
InChIKeyVBHDMUVJSWTSFI-UHFFFAOYSA-N
XLogP4.68
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-(3-fluorophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of 7-fluoro-6-(3-fluorophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine (CID 71151562) is 7-fluoro-6-(3-fluorophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for 7-fluoro-6-(3-fluorophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for 7-fluoro-6-(3-fluorophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine is CNc1nc(-c2cccnc2)nc2cc(F)c(-c3cccc(F)c3)cc12.
What is the InChIKey of 7-fluoro-6-(3-fluorophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is VBHDMUVJSWTSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4/c1-23-20-16-9-15(12-4-2-6-14(21)8-12)17(22)10-18(16)25-19(26-20)13-5-3-7-24-11-13/h2-11H,1H3,(H,23,25,26).
What are the key properties of 7-fluoro-6-(3-fluorophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
7-fluoro-6-(3-fluorophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 348.36 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-(3-fluorophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71151562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).