4-[[5,6-dimethyl-2-(5-methyl-2-pyridinyl)-3-pyridinyl]oxy]quinazoline

C21H18N4O — CID 23156568

IUPAC4-[[5,6-dimethyl-2-(5-methyl-2-pyridinyl)-3-pyridinyl]oxy]quinazoline
SMILESCc1ccc(-c2nc(C)c(C)cc2Oc2ncnc3ccccc23)nc1
InChIInChI=1S/C21H18N4O/c1-13-8-9-18(22-11-13)20-19(10-14(2)15(3)25-20)26-21-16-6-4-5-7-17(16)23-12-24-21/h4-12H,1-3H3
InChIKeyJBJHPQRRXOGFJA-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.80
Rot. Bonds3

About 4-[[5,6-dimethyl-2-(5-methyl-2-pyridinyl)-3-pyridinyl]oxy]quinazoline

4-[[5,6-dimethyl-2-(5-methyl-2-pyridinyl)-3-pyridinyl]oxy]quinazoline (PubChem CID 23156568) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-[[5,6-dimethyl-2-(5-methyl-2-pyridinyl)-3-pyridinyl]oxy]quinazoline.

Molecular Properties

Compound Name4-[[5,6-dimethyl-2-(5-methyl-2-pyridinyl)-3-pyridinyl]oxy]quinazoline
PubChem CID23156568
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name4-[[5,6-dimethyl-2-(5-methyl-2-pyridinyl)-3-pyridinyl]oxy]quinazoline
SMILESCc1ccc(-c2nc(C)c(C)cc2Oc2ncnc3ccccc23)nc1
InChIInChI=1S/C21H18N4O/c1-13-8-9-18(22-11-13)20-19(10-14(2)15(3)25-20)26-21-16-6-4-5-7-17(16)23-12-24-21/h4-12H,1-3H3
InChIKeyJBJHPQRRXOGFJA-UHFFFAOYSA-N
XLogP4.80
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5,6-dimethyl-2-(5-methyl-2-pyridinyl)-3-pyridinyl]oxy]quinazoline?
The IUPAC name of 4-[[5,6-dimethyl-2-(5-methyl-2-pyridinyl)-3-pyridinyl]oxy]quinazoline (CID 23156568) is 4-[[5,6-dimethyl-2-(5-methyl-2-pyridinyl)-3-pyridinyl]oxy]quinazoline.
What is the SMILES notation for 4-[[5,6-dimethyl-2-(5-methyl-2-pyridinyl)-3-pyridinyl]oxy]quinazoline?
The canonical SMILES for 4-[[5,6-dimethyl-2-(5-methyl-2-pyridinyl)-3-pyridinyl]oxy]quinazoline is Cc1ccc(-c2nc(C)c(C)cc2Oc2ncnc3ccccc23)nc1.
What is the InChIKey of 4-[[5,6-dimethyl-2-(5-methyl-2-pyridinyl)-3-pyridinyl]oxy]quinazoline?
The InChIKey is JBJHPQRRXOGFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-13-8-9-18(22-11-13)20-19(10-14(2)15(3)25-20)26-21-16-6-4-5-7-17(16)23-12-24-21/h4-12H,1-3H3.
What are the key properties of 4-[[5,6-dimethyl-2-(5-methyl-2-pyridinyl)-3-pyridinyl]oxy]quinazoline?
4-[[5,6-dimethyl-2-(5-methyl-2-pyridinyl)-3-pyridinyl]oxy]quinazoline has a molecular weight of 342.40 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5,6-dimethyl-2-(5-methyl-2-pyridinyl)-3-pyridinyl]oxy]quinazoline is sourced from PubChem (CID 23156568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).