2-[6-(4-methoxyphenyl)-2-pyridinyl]quinazoline

C20H15N3O — CID 67688203

IUPAC2-[6-(4-methoxyphenyl)-2-pyridinyl]quinazoline
SMILESCOc1ccc(-c2cccc(-c3ncc4ccccc4n3)n2)cc1
InChIInChI=1S/C20H15N3O/c1-24-16-11-9-14(10-12-16)17-7-4-8-19(22-17)20-21-13-15-5-2-3-6-18(15)23-20/h2-13H,1H3
InChIKeyGBMDLBYQDWFPPE-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.37
Rot. Bonds3

About 2-[6-(4-methoxyphenyl)-2-pyridinyl]quinazoline

2-[6-(4-methoxyphenyl)-2-pyridinyl]quinazoline (PubChem CID 67688203) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[6-(4-methoxyphenyl)-2-pyridinyl]quinazoline.

Molecular Properties

Compound Name2-[6-(4-methoxyphenyl)-2-pyridinyl]quinazoline
PubChem CID67688203
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name2-[6-(4-methoxyphenyl)-2-pyridinyl]quinazoline
SMILESCOc1ccc(-c2cccc(-c3ncc4ccccc4n3)n2)cc1
InChIInChI=1S/C20H15N3O/c1-24-16-11-9-14(10-12-16)17-7-4-8-19(22-17)20-21-13-15-5-2-3-6-18(15)23-20/h2-13H,1H3
InChIKeyGBMDLBYQDWFPPE-UHFFFAOYSA-N
XLogP4.37
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methoxyphenyl)-2-pyridinyl]quinazoline?
The IUPAC name of 2-[6-(4-methoxyphenyl)-2-pyridinyl]quinazoline (CID 67688203) is 2-[6-(4-methoxyphenyl)-2-pyridinyl]quinazoline.
What is the SMILES notation for 2-[6-(4-methoxyphenyl)-2-pyridinyl]quinazoline?
The canonical SMILES for 2-[6-(4-methoxyphenyl)-2-pyridinyl]quinazoline is COc1ccc(-c2cccc(-c3ncc4ccccc4n3)n2)cc1.
What is the InChIKey of 2-[6-(4-methoxyphenyl)-2-pyridinyl]quinazoline?
The InChIKey is GBMDLBYQDWFPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c1-24-16-11-9-14(10-12-16)17-7-4-8-19(22-17)20-21-13-15-5-2-3-6-18(15)23-20/h2-13H,1H3.
What are the key properties of 2-[6-(4-methoxyphenyl)-2-pyridinyl]quinazoline?
2-[6-(4-methoxyphenyl)-2-pyridinyl]quinazoline has a molecular weight of 313.36 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-methoxyphenyl)-2-pyridinyl]quinazoline is sourced from PubChem (CID 67688203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).