4-(4-fluoro-2-methylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline

C21H16FN3 — CID 67701490

IUPAC4-(4-fluoro-2-methylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline
SMILESCc1cccc(-c2nc(-c3ccc(F)cc3C)c3ccccc3n2)n1
InChIInChI=1S/C21H16FN3/c1-13-12-15(22)10-11-16(13)20-17-7-3-4-8-18(17)24-21(25-20)19-9-5-6-14(2)23-19/h3-12H,1-2H3
InChIKeyTUANTGYXFLFGPX-UHFFFAOYSA-N
MW329.38 g/mol
LogP5.11
Rot. Bonds2

About 4-(4-fluoro-2-methylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline

4-(4-fluoro-2-methylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline (PubChem CID 67701490) has the molecular formula C21H16FN3 and a molecular weight of 329.38 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline.

Molecular Properties

Compound Name4-(4-fluoro-2-methylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline
PubChem CID67701490
Molecular FormulaC21H16FN3
Molecular Weight329.38 g/mol
Exact Mass329.13
IUPAC Name4-(4-fluoro-2-methylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline
SMILESCc1cccc(-c2nc(-c3ccc(F)cc3C)c3ccccc3n2)n1
InChIInChI=1S/C21H16FN3/c1-13-12-15(22)10-11-16(13)20-17-7-3-4-8-18(17)24-21(25-20)19-9-5-6-14(2)23-19/h3-12H,1-2H3
InChIKeyTUANTGYXFLFGPX-UHFFFAOYSA-N
XLogP5.11
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.38
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline?
The IUPAC name of 4-(4-fluoro-2-methylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline (CID 67701490) is 4-(4-fluoro-2-methylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline.
What is the SMILES notation for 4-(4-fluoro-2-methylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline?
The canonical SMILES for 4-(4-fluoro-2-methylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline is Cc1cccc(-c2nc(-c3ccc(F)cc3C)c3ccccc3n2)n1.
What is the InChIKey of 4-(4-fluoro-2-methylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline?
The InChIKey is TUANTGYXFLFGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3/c1-13-12-15(22)10-11-16(13)20-17-7-3-4-8-18(17)24-21(25-20)19-9-5-6-14(2)23-19/h3-12H,1-2H3.
What are the key properties of 4-(4-fluoro-2-methylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline?
4-(4-fluoro-2-methylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline has a molecular weight of 329.38 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline is sourced from PubChem (CID 67701490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).