4-[1-(4-methoxyphenyl)ethenyl]-2-methylquinazoline

C18H16N2O — CID 118444634

IUPAC4-[1-(4-methoxyphenyl)ethenyl]-2-methylquinazoline
SMILESC=C(c1ccc(OC)cc1)c1nc(C)nc2ccccc12
InChIInChI=1S/C18H16N2O/c1-12(14-8-10-15(21-3)11-9-14)18-16-6-4-5-7-17(16)19-13(2)20-18/h4-11H,1H2,2-3H3
InChIKeyLHIIXZMSXRDIET-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.01
Rot. Bonds3

About 4-[1-(4-methoxyphenyl)ethenyl]-2-methylquinazoline

4-[1-(4-methoxyphenyl)ethenyl]-2-methylquinazoline (PubChem CID 118444634) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[1-(4-methoxyphenyl)ethenyl]-2-methylquinazoline.

Molecular Properties

Compound Name4-[1-(4-methoxyphenyl)ethenyl]-2-methylquinazoline
PubChem CID118444634
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name4-[1-(4-methoxyphenyl)ethenyl]-2-methylquinazoline
SMILESC=C(c1ccc(OC)cc1)c1nc(C)nc2ccccc12
InChIInChI=1S/C18H16N2O/c1-12(14-8-10-15(21-3)11-9-14)18-16-6-4-5-7-17(16)19-13(2)20-18/h4-11H,1H2,2-3H3
InChIKeyLHIIXZMSXRDIET-UHFFFAOYSA-N
XLogP4.01
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methoxyphenyl)ethenyl]-2-methylquinazoline?
The IUPAC name of 4-[1-(4-methoxyphenyl)ethenyl]-2-methylquinazoline (CID 118444634) is 4-[1-(4-methoxyphenyl)ethenyl]-2-methylquinazoline.
What is the SMILES notation for 4-[1-(4-methoxyphenyl)ethenyl]-2-methylquinazoline?
The canonical SMILES for 4-[1-(4-methoxyphenyl)ethenyl]-2-methylquinazoline is C=C(c1ccc(OC)cc1)c1nc(C)nc2ccccc12.
What is the InChIKey of 4-[1-(4-methoxyphenyl)ethenyl]-2-methylquinazoline?
The InChIKey is LHIIXZMSXRDIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-12(14-8-10-15(21-3)11-9-14)18-16-6-4-5-7-17(16)19-13(2)20-18/h4-11H,1H2,2-3H3.
What are the key properties of 4-[1-(4-methoxyphenyl)ethenyl]-2-methylquinazoline?
4-[1-(4-methoxyphenyl)ethenyl]-2-methylquinazoline has a molecular weight of 276.34 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methoxyphenyl)ethenyl]-2-methylquinazoline is sourced from PubChem (CID 118444634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).