2-[6-(2,6-dimethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline

C22H19N3O2 — CID 67688889

IUPAC2-[6-(2,6-dimethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline
SMILESCOc1cccc(OC)c1-c1nc(-c2ncc3ccccc3n2)ccc1C
InChIInChI=1S/C22H19N3O2/c1-14-11-12-17(22-23-13-15-7-4-5-8-16(15)25-22)24-21(14)20-18(26-2)9-6-10-19(20)27-3/h4-13H,1-3H3
InChIKeyVHKUOPYFSRBIMH-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.68
Rot. Bonds4

About 2-[6-(2,6-dimethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline

2-[6-(2,6-dimethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline (PubChem CID 67688889) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[6-(2,6-dimethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline.

Molecular Properties

Compound Name2-[6-(2,6-dimethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline
PubChem CID67688889
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name2-[6-(2,6-dimethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline
SMILESCOc1cccc(OC)c1-c1nc(-c2ncc3ccccc3n2)ccc1C
InChIInChI=1S/C22H19N3O2/c1-14-11-12-17(22-23-13-15-7-4-5-8-16(15)25-22)24-21(14)20-18(26-2)9-6-10-19(20)27-3/h4-13H,1-3H3
InChIKeyVHKUOPYFSRBIMH-UHFFFAOYSA-N
XLogP4.68
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,6-dimethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline?
The IUPAC name of 2-[6-(2,6-dimethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline (CID 67688889) is 2-[6-(2,6-dimethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline.
What is the SMILES notation for 2-[6-(2,6-dimethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline?
The canonical SMILES for 2-[6-(2,6-dimethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline is COc1cccc(OC)c1-c1nc(-c2ncc3ccccc3n2)ccc1C.
What is the InChIKey of 2-[6-(2,6-dimethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline?
The InChIKey is VHKUOPYFSRBIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-14-11-12-17(22-23-13-15-7-4-5-8-16(15)25-22)24-21(14)20-18(26-2)9-6-10-19(20)27-3/h4-13H,1-3H3.
What are the key properties of 2-[6-(2,6-dimethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline?
2-[6-(2,6-dimethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline has a molecular weight of 357.41 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,6-dimethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline is sourced from PubChem (CID 67688889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).