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

C22H19N3O — CID 67688517

IUPAC2-[6-(3-ethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline
SMILESCCOc1cccc(-c2nc(-c3ncc4ccccc4n3)ccc2C)c1
InChIInChI=1S/C22H19N3O/c1-3-26-18-9-6-8-16(13-18)21-15(2)11-12-20(24-21)22-23-14-17-7-4-5-10-19(17)25-22/h4-14H,3H2,1-2H3
InChIKeyITCYKUUZSQJICE-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.07
Rot. Bonds4

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

2-[6-(3-ethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline (PubChem CID 67688517) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[6-(3-ethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline.

Molecular Properties

Compound Name2-[6-(3-ethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline
PubChem CID67688517
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name2-[6-(3-ethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline
SMILESCCOc1cccc(-c2nc(-c3ncc4ccccc4n3)ccc2C)c1
InChIInChI=1S/C22H19N3O/c1-3-26-18-9-6-8-16(13-18)21-15(2)11-12-20(24-21)22-23-14-17-7-4-5-10-19(17)25-22/h4-14H,3H2,1-2H3
InChIKeyITCYKUUZSQJICE-UHFFFAOYSA-N
XLogP5.07
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-ethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline?
The IUPAC name of 2-[6-(3-ethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline (CID 67688517) is 2-[6-(3-ethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline.
What is the SMILES notation for 2-[6-(3-ethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline?
The canonical SMILES for 2-[6-(3-ethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline is CCOc1cccc(-c2nc(-c3ncc4ccccc4n3)ccc2C)c1.
What is the InChIKey of 2-[6-(3-ethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline?
The InChIKey is ITCYKUUZSQJICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-3-26-18-9-6-8-16(13-18)21-15(2)11-12-20(24-21)22-23-14-17-7-4-5-10-19(17)25-22/h4-14H,3H2,1-2H3.
What are the key properties of 2-[6-(3-ethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline?
2-[6-(3-ethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline has a molecular weight of 341.41 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-ethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline is sourced from PubChem (CID 67688517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).