3-[2-(4-methoxyphenyl)-2-oxoethyl]-2-propylquinazolin-4-one

C20H20N2O3 — CID 4271811

IUPAC3-[2-(4-methoxyphenyl)-2-oxoethyl]-2-propylquinazolin-4-one
SMILESCCCc1nc2ccccc2c(=O)n1CC(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H20N2O3/c1-3-6-19-21-17-8-5-4-7-16(17)20(24)22(19)13-18(23)14-9-11-15(25-2)12-10-14/h4-5,7-12H,3,6,13H2,1-2H3
InChIKeyIWDKFGCXFMUGRN-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.24
Rot. Bonds6

About 3-[2-(4-methoxyphenyl)-2-oxoethyl]-2-propylquinazolin-4-one

3-[2-(4-methoxyphenyl)-2-oxoethyl]-2-propylquinazolin-4-one (PubChem CID 4271811) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)-2-oxoethyl]-2-propylquinazolin-4-one.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)-2-oxoethyl]-2-propylquinazolin-4-one
PubChem CID4271811
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3-[2-(4-methoxyphenyl)-2-oxoethyl]-2-propylquinazolin-4-one
SMILESCCCc1nc2ccccc2c(=O)n1CC(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H20N2O3/c1-3-6-19-21-17-8-5-4-7-16(17)20(24)22(19)13-18(23)14-9-11-15(25-2)12-10-14/h4-5,7-12H,3,6,13H2,1-2H3
InChIKeyIWDKFGCXFMUGRN-UHFFFAOYSA-N
XLogP3.24
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)-2-oxoethyl]-2-propylquinazolin-4-one?
The IUPAC name of 3-[2-(4-methoxyphenyl)-2-oxoethyl]-2-propylquinazolin-4-one (CID 4271811) is 3-[2-(4-methoxyphenyl)-2-oxoethyl]-2-propylquinazolin-4-one.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)-2-oxoethyl]-2-propylquinazolin-4-one?
The canonical SMILES for 3-[2-(4-methoxyphenyl)-2-oxoethyl]-2-propylquinazolin-4-one is CCCc1nc2ccccc2c(=O)n1CC(=O)c1ccc(OC)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)-2-oxoethyl]-2-propylquinazolin-4-one?
The InChIKey is IWDKFGCXFMUGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-6-19-21-17-8-5-4-7-16(17)20(24)22(19)13-18(23)14-9-11-15(25-2)12-10-14/h4-5,7-12H,3,6,13H2,1-2H3.
What are the key properties of 3-[2-(4-methoxyphenyl)-2-oxoethyl]-2-propylquinazolin-4-one?
3-[2-(4-methoxyphenyl)-2-oxoethyl]-2-propylquinazolin-4-one has a molecular weight of 336.39 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)-2-oxoethyl]-2-propylquinazolin-4-one is sourced from PubChem (CID 4271811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).