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

C17H14N2O3 — CID 7874936

IUPAC3-[2-(4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one
SMILESCOc1ccc(C(=O)Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C17H14N2O3/c1-22-13-8-6-12(7-9-13)16(20)10-19-11-18-15-5-3-2-4-14(15)17(19)21/h2-9,11H,10H2,1H3
InChIKeySFQBBLHYENSYGD-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.29
Rot. Bonds4

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

3-[2-(4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one (PubChem CID 7874936) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one
PubChem CID7874936
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name3-[2-(4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one
SMILESCOc1ccc(C(=O)Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C17H14N2O3/c1-22-13-8-6-12(7-9-13)16(20)10-19-11-18-15-5-3-2-4-14(15)17(19)21/h2-9,11H,10H2,1H3
InChIKeySFQBBLHYENSYGD-UHFFFAOYSA-N
XLogP2.29
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.29
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]quinazolin-4-one?
The IUPAC name of 3-[2-(4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one (CID 7874936) is 3-[2-(4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-(4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one is COc1ccc(C(=O)Cn2cnc3ccccc3c2=O)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one?
The InChIKey is SFQBBLHYENSYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-22-13-8-6-12(7-9-13)16(20)10-19-11-18-15-5-3-2-4-14(15)17(19)21/h2-9,11H,10H2,1H3.
What are the key properties of 3-[2-(4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one?
3-[2-(4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one has a molecular weight of 294.31 g/mol, XLogP of 2.29, 4 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]quinazolin-4-one is sourced from PubChem (CID 7874936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).