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

C21H16FN3O — CID 67701779

IUPAC4-(2-fluoro-4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)quinazoline
SMILESCOc1ccc(-c2nc(-c3cccc(C)n3)nc3ccccc23)c(F)c1
InChIInChI=1S/C21H16FN3O/c1-13-6-5-9-19(23-13)21-24-18-8-4-3-7-16(18)20(25-21)15-11-10-14(26-2)12-17(15)22/h3-12H,1-2H3
InChIKeyXYWSVRHRXNPURG-UHFFFAOYSA-N
MW345.38 g/mol
LogP4.81
Rot. Bonds3

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

4-(2-fluoro-4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)quinazoline (PubChem CID 67701779) has the molecular formula C21H16FN3O and a molecular weight of 345.38 g/mol. Its IUPAC name is 4-(2-fluoro-4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)quinazoline.

Molecular Properties

Compound Name4-(2-fluoro-4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)quinazoline
PubChem CID67701779
Molecular FormulaC21H16FN3O
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC Name4-(2-fluoro-4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)quinazoline
SMILESCOc1ccc(-c2nc(-c3cccc(C)n3)nc3ccccc23)c(F)c1
InChIInChI=1S/C21H16FN3O/c1-13-6-5-9-19(23-13)21-24-18-8-4-3-7-16(18)20(25-21)15-11-10-14(26-2)12-17(15)22/h3-12H,1-2H3
InChIKeyXYWSVRHRXNPURG-UHFFFAOYSA-N
XLogP4.81
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)quinazoline?
The IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)quinazoline (CID 67701779) is 4-(2-fluoro-4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)quinazoline.
What is the SMILES notation for 4-(2-fluoro-4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)quinazoline?
The canonical SMILES for 4-(2-fluoro-4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)quinazoline is COc1ccc(-c2nc(-c3cccc(C)n3)nc3ccccc23)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)quinazoline?
The InChIKey is XYWSVRHRXNPURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O/c1-13-6-5-9-19(23-13)21-24-18-8-4-3-7-16(18)20(25-21)15-11-10-14(26-2)12-17(15)22/h3-12H,1-2H3.
What are the key properties of 4-(2-fluoro-4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)quinazoline?
4-(2-fluoro-4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)quinazoline has a molecular weight of 345.38 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)quinazoline is sourced from PubChem (CID 67701779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).