2-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]quinazoline

C21H17N3O2 — CID 67688258

IUPAC2-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]quinazoline
SMILESCOc1ccc(-c2cccc(-c3ncc4ccccc4n3)n2)c(OC)c1
InChIInChI=1S/C21H17N3O2/c1-25-15-10-11-16(20(12-15)26-2)18-8-5-9-19(23-18)21-22-13-14-6-3-4-7-17(14)24-21/h3-13H,1-2H3
InChIKeyXDBLOXPUPHILDA-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.38
Rot. Bonds4

About 2-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]quinazoline

2-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]quinazoline (PubChem CID 67688258) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]quinazoline.

Molecular Properties

Compound Name2-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]quinazoline
PubChem CID67688258
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name2-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]quinazoline
SMILESCOc1ccc(-c2cccc(-c3ncc4ccccc4n3)n2)c(OC)c1
InChIInChI=1S/C21H17N3O2/c1-25-15-10-11-16(20(12-15)26-2)18-8-5-9-19(23-18)21-22-13-14-6-3-4-7-17(14)24-21/h3-13H,1-2H3
InChIKeyXDBLOXPUPHILDA-UHFFFAOYSA-N
XLogP4.38
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]quinazoline?
The IUPAC name of 2-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]quinazoline (CID 67688258) is 2-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]quinazoline.
What is the SMILES notation for 2-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]quinazoline?
The canonical SMILES for 2-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]quinazoline is COc1ccc(-c2cccc(-c3ncc4ccccc4n3)n2)c(OC)c1.
What is the InChIKey of 2-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]quinazoline?
The InChIKey is XDBLOXPUPHILDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-25-15-10-11-16(20(12-15)26-2)18-8-5-9-19(23-18)21-22-13-14-6-3-4-7-17(14)24-21/h3-13H,1-2H3.
What are the key properties of 2-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]quinazoline?
2-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]quinazoline has a molecular weight of 343.39 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,4-dimethoxyphenyl)-2-pyridinyl]quinazoline is sourced from PubChem (CID 67688258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).