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

C21H17N3O — CID 67688216

IUPAC2-[6-(3-ethoxyphenyl)-2-pyridinyl]quinazoline
SMILESCCOc1cccc(-c2cccc(-c3ncc4ccccc4n3)n2)c1
InChIInChI=1S/C21H17N3O/c1-2-25-17-9-5-8-15(13-17)18-11-6-12-20(23-18)21-22-14-16-7-3-4-10-19(16)24-21/h3-14H,2H2,1H3
InChIKeyUFXLJTUJNJCMAQ-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.76
Rot. Bonds4

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

2-[6-(3-ethoxyphenyl)-2-pyridinyl]quinazoline (PubChem CID 67688216) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-[6-(3-ethoxyphenyl)-2-pyridinyl]quinazoline.

Molecular Properties

Compound Name2-[6-(3-ethoxyphenyl)-2-pyridinyl]quinazoline
PubChem CID67688216
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name2-[6-(3-ethoxyphenyl)-2-pyridinyl]quinazoline
SMILESCCOc1cccc(-c2cccc(-c3ncc4ccccc4n3)n2)c1
InChIInChI=1S/C21H17N3O/c1-2-25-17-9-5-8-15(13-17)18-11-6-12-20(23-18)21-22-14-16-7-3-4-10-19(16)24-21/h3-14H,2H2,1H3
InChIKeyUFXLJTUJNJCMAQ-UHFFFAOYSA-N
XLogP4.76
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.76
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)-2-pyridinyl]quinazoline?
The IUPAC name of 2-[6-(3-ethoxyphenyl)-2-pyridinyl]quinazoline (CID 67688216) is 2-[6-(3-ethoxyphenyl)-2-pyridinyl]quinazoline.
What is the SMILES notation for 2-[6-(3-ethoxyphenyl)-2-pyridinyl]quinazoline?
The canonical SMILES for 2-[6-(3-ethoxyphenyl)-2-pyridinyl]quinazoline is CCOc1cccc(-c2cccc(-c3ncc4ccccc4n3)n2)c1.
What is the InChIKey of 2-[6-(3-ethoxyphenyl)-2-pyridinyl]quinazoline?
The InChIKey is UFXLJTUJNJCMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c1-2-25-17-9-5-8-15(13-17)18-11-6-12-20(23-18)21-22-14-16-7-3-4-10-19(16)24-21/h3-14H,2H2,1H3.
What are the key properties of 2-[6-(3-ethoxyphenyl)-2-pyridinyl]quinazoline?
2-[6-(3-ethoxyphenyl)-2-pyridinyl]quinazoline has a molecular weight of 327.39 g/mol, XLogP of 4.76, 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)-2-pyridinyl]quinazoline is sourced from PubChem (CID 67688216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).