2-[6-[(3-fluorophenyl)methyl]-5-methyl-2-pyridinyl]quinazoline

C21H16FN3 — CID 67689081

IUPAC2-[6-[(3-fluorophenyl)methyl]-5-methyl-2-pyridinyl]quinazoline
SMILESCc1ccc(-c2ncc3ccccc3n2)nc1Cc1cccc(F)c1
InChIInChI=1S/C21H16FN3/c1-14-9-10-19(21-23-13-16-6-2-3-8-18(16)25-21)24-20(14)12-15-5-4-7-17(22)11-15/h2-11,13H,12H2,1H3
InChIKeySVBXAYLDBQMQRV-UHFFFAOYSA-N
MW329.38 g/mol
LogP4.73
Rot. Bonds3

About 2-[6-[(3-fluorophenyl)methyl]-5-methyl-2-pyridinyl]quinazoline

2-[6-[(3-fluorophenyl)methyl]-5-methyl-2-pyridinyl]quinazoline (PubChem CID 67689081) has the molecular formula C21H16FN3 and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-[6-[(3-fluorophenyl)methyl]-5-methyl-2-pyridinyl]quinazoline.

Molecular Properties

Compound Name2-[6-[(3-fluorophenyl)methyl]-5-methyl-2-pyridinyl]quinazoline
PubChem CID67689081
Molecular FormulaC21H16FN3
Molecular Weight329.38 g/mol
Exact Mass329.13
IUPAC Name2-[6-[(3-fluorophenyl)methyl]-5-methyl-2-pyridinyl]quinazoline
SMILESCc1ccc(-c2ncc3ccccc3n2)nc1Cc1cccc(F)c1
InChIInChI=1S/C21H16FN3/c1-14-9-10-19(21-23-13-16-6-2-3-8-18(16)25-21)24-20(14)12-15-5-4-7-17(22)11-15/h2-11,13H,12H2,1H3
InChIKeySVBXAYLDBQMQRV-UHFFFAOYSA-N
XLogP4.73
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3-fluorophenyl)methyl]-5-methyl-2-pyridinyl]quinazoline?
The IUPAC name of 2-[6-[(3-fluorophenyl)methyl]-5-methyl-2-pyridinyl]quinazoline (CID 67689081) is 2-[6-[(3-fluorophenyl)methyl]-5-methyl-2-pyridinyl]quinazoline.
What is the SMILES notation for 2-[6-[(3-fluorophenyl)methyl]-5-methyl-2-pyridinyl]quinazoline?
The canonical SMILES for 2-[6-[(3-fluorophenyl)methyl]-5-methyl-2-pyridinyl]quinazoline is Cc1ccc(-c2ncc3ccccc3n2)nc1Cc1cccc(F)c1.
What is the InChIKey of 2-[6-[(3-fluorophenyl)methyl]-5-methyl-2-pyridinyl]quinazoline?
The InChIKey is SVBXAYLDBQMQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3/c1-14-9-10-19(21-23-13-16-6-2-3-8-18(16)25-21)24-20(14)12-15-5-4-7-17(22)11-15/h2-11,13H,12H2,1H3.
What are the key properties of 2-[6-[(3-fluorophenyl)methyl]-5-methyl-2-pyridinyl]quinazoline?
2-[6-[(3-fluorophenyl)methyl]-5-methyl-2-pyridinyl]quinazoline has a molecular weight of 329.38 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3-fluorophenyl)methyl]-5-methyl-2-pyridinyl]quinazoline is sourced from PubChem (CID 67689081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).