3-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethyl]quinazolin-4-one

C21H22N2O4 — CID 94036694

IUPAC3-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethyl]quinazolin-4-one
SMILESCCCc1c(OCCn2cnc3ccccc3c2=O)ccc(C(C)=O)c1O
InChIInChI=1S/C21H22N2O4/c1-3-6-17-19(10-9-15(14(2)24)20(17)25)27-12-11-23-13-22-18-8-5-4-7-16(18)21(23)26/h4-5,7-10,13,25H,3,6,11-12H2,1-2H3
InChIKeyRWBAELOKLHPNPM-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.34
Rot. Bonds7

About 3-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethyl]quinazolin-4-one

3-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethyl]quinazolin-4-one (PubChem CID 94036694) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethyl]quinazolin-4-one
PubChem CID94036694
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name3-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethyl]quinazolin-4-one
SMILESCCCc1c(OCCn2cnc3ccccc3c2=O)ccc(C(C)=O)c1O
InChIInChI=1S/C21H22N2O4/c1-3-6-17-19(10-9-15(14(2)24)20(17)25)27-12-11-23-13-22-18-8-5-4-7-16(18)21(23)26/h4-5,7-10,13,25H,3,6,11-12H2,1-2H3
InChIKeyRWBAELOKLHPNPM-UHFFFAOYSA-N
XLogP3.34
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(3,3-dihydroxypropoxy)-2-hydroxy-3-propylphenyl]ethanone
CID 70485136
3-propylquinazolin-4-one
CID 529124
3-[2-(2,4-dimethylphenoxy)ethyl]quinazolin-4-one
CID 973535
1-[2-hydroxy-4-[3-(2-nitrophenoxy)propoxy]-3-propylphenyl]ethanone
CID 19851997
3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]quinazolin-4-one
CID 973373
1-(2-hydroxy-4-pentoxy-3-propylphenyl)ethanone thiocyanate
CID 21294042
3-[2-(2-hydroxyethoxy)ethyl]quinazolin-4-one
CID 39805269
3-[2-(2,5-dichlorophenoxy)ethyl]quinazolin-4-one
CID 973494
3-[2-oxo-2-(1-propylindol-3-yl)ethyl]quinazolin-4-one
CID 41316271
3-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]quinazolin-4-one
CID 762605
N-(4-methyl-2-propoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 55902104
2-(4-oxoquinazolin-3-yl)ethyl 2-fluorobenzoate
CID 30337827

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethyl]quinazolin-4-one?
The IUPAC name of 3-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethyl]quinazolin-4-one (CID 94036694) is 3-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethyl]quinazolin-4-one is CCCc1c(OCCn2cnc3ccccc3c2=O)ccc(C(C)=O)c1O.
What is the InChIKey of 3-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethyl]quinazolin-4-one?
The InChIKey is RWBAELOKLHPNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-3-6-17-19(10-9-15(14(2)24)20(17)25)27-12-11-23-13-22-18-8-5-4-7-16(18)21(23)26/h4-5,7-10,13,25H,3,6,11-12H2,1-2H3.
What are the key properties of 3-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethyl]quinazolin-4-one?
3-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethyl]quinazolin-4-one has a molecular weight of 366.42 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethyl]quinazolin-4-one is sourced from PubChem (CID 94036694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).