4-methylidene-6-(2-methyl-4-pyridinyl)-3H-quinazoline

C15H13N3 — CID 143158062

IUPAC4-methylidene-6-(2-methyl-4-pyridinyl)-3H-quinazoline
SMILESC=C1NC=Nc2ccc(-c3ccnc(C)c3)cc21
InChIInChI=1S/C15H13N3/c1-10-7-13(5-6-16-10)12-3-4-15-14(8-12)11(2)17-9-18-15/h3-9H,2H2,1H3,(H,17,18)
InChIKeyOXICXJPIWVFVDL-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.29
Rot. Bonds1

About 4-methylidene-6-(2-methyl-4-pyridinyl)-3H-quinazoline

4-methylidene-6-(2-methyl-4-pyridinyl)-3H-quinazoline (PubChem CID 143158062) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-methylidene-6-(2-methyl-4-pyridinyl)-3H-quinazoline.

Molecular Properties

Compound Name4-methylidene-6-(2-methyl-4-pyridinyl)-3H-quinazoline
PubChem CID143158062
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name4-methylidene-6-(2-methyl-4-pyridinyl)-3H-quinazoline
SMILESC=C1NC=Nc2ccc(-c3ccnc(C)c3)cc21
InChIInChI=1S/C15H13N3/c1-10-7-13(5-6-16-10)12-3-4-15-14(8-12)11(2)17-9-18-15/h3-9H,2H2,1H3,(H,17,18)
InChIKeyOXICXJPIWVFVDL-UHFFFAOYSA-N
XLogP3.29
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-6-(2-methyl-4-pyridinyl)-3H-quinazoline?
The IUPAC name of 4-methylidene-6-(2-methyl-4-pyridinyl)-3H-quinazoline (CID 143158062) is 4-methylidene-6-(2-methyl-4-pyridinyl)-3H-quinazoline.
What is the SMILES notation for 4-methylidene-6-(2-methyl-4-pyridinyl)-3H-quinazoline?
The canonical SMILES for 4-methylidene-6-(2-methyl-4-pyridinyl)-3H-quinazoline is C=C1NC=Nc2ccc(-c3ccnc(C)c3)cc21.
What is the InChIKey of 4-methylidene-6-(2-methyl-4-pyridinyl)-3H-quinazoline?
The InChIKey is OXICXJPIWVFVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-10-7-13(5-6-16-10)12-3-4-15-14(8-12)11(2)17-9-18-15/h3-9H,2H2,1H3,(H,17,18).
What are the key properties of 4-methylidene-6-(2-methyl-4-pyridinyl)-3H-quinazoline?
4-methylidene-6-(2-methyl-4-pyridinyl)-3H-quinazoline has a molecular weight of 235.29 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-6-(2-methyl-4-pyridinyl)-3H-quinazoline is sourced from PubChem (CID 143158062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).