3-(2-methyl-4-oxoquinazolin-3-yl)propyl 2-(4-methoxyphenyl)acetate

C21H22N2O4 — CID 30339575

IUPAC3-(2-methyl-4-oxoquinazolin-3-yl)propyl 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCCCn2c(C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C21H22N2O4/c1-15-22-19-7-4-3-6-18(19)21(25)23(15)12-5-13-27-20(24)14-16-8-10-17(26-2)11-9-16/h3-4,6-11H,5,12-14H2,1-2H3
InChIKeyZXVIIERIRIIMRD-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.89
Rot. Bonds7

About 3-(2-methyl-4-oxoquinazolin-3-yl)propyl 2-(4-methoxyphenyl)acetate

3-(2-methyl-4-oxoquinazolin-3-yl)propyl 2-(4-methoxyphenyl)acetate (PubChem CID 30339575) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-(2-methyl-4-oxoquinazolin-3-yl)propyl 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name3-(2-methyl-4-oxoquinazolin-3-yl)propyl 2-(4-methoxyphenyl)acetate
PubChem CID30339575
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name3-(2-methyl-4-oxoquinazolin-3-yl)propyl 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCCCn2c(C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C21H22N2O4/c1-15-22-19-7-4-3-6-18(19)21(25)23(15)12-5-13-27-20(24)14-16-8-10-17(26-2)11-9-16/h3-4,6-11H,5,12-14H2,1-2H3
InChIKeyZXVIIERIRIIMRD-UHFFFAOYSA-N
XLogP2.89
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-methyl-4-oxoquinazolin-3-yl)propyl 2-(4-chlorophenyl)sulfanylacetate
CID 30339679
2-methyl-2-[4-[3-(2-methyl-4-oxoquinazolin-3-yl)propoxy]phenyl]sulfanylpropanoic acid
CID 59723825
3-(2-methyl-4-oxoquinazolin-3-yl)propyl 5-nitrofuran-2-carboxylate
CID 30339524
3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate
CID 55393887
2-methyl-2-[4-[3-(2-methyl-4-oxoquinazolin-3-yl)propoxy]phenyl]sulfanylbutanoic acid
CID 59723890
3-(2-ethyl-4-oxoquinazolin-3-yl)propyl propanoate
CID 59723876
2-methyl-3-[3-(methylamino)propyl]quinazolin-4-one
CID 30370658
ethyl 3-[4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]-2-phenoxypropanoate
CID 54415396
(4-methylquinazolin-2-yl)methyl 2-(4-methoxyphenyl)acetate
CID 32670302
3-[5-(4-ethoxyphenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 2010216
3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2-methylquinazolin-4-one
CID 42952061
ethyl 2-[(2-chlorophenoxy)carbonyl-[[4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]amino]acetate
CID 15942246

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4-oxoquinazolin-3-yl)propyl 2-(4-methoxyphenyl)acetate?
The IUPAC name of 3-(2-methyl-4-oxoquinazolin-3-yl)propyl 2-(4-methoxyphenyl)acetate (CID 30339575) is 3-(2-methyl-4-oxoquinazolin-3-yl)propyl 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for 3-(2-methyl-4-oxoquinazolin-3-yl)propyl 2-(4-methoxyphenyl)acetate?
The canonical SMILES for 3-(2-methyl-4-oxoquinazolin-3-yl)propyl 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCCCn2c(C)nc3ccccc3c2=O)cc1.
What is the InChIKey of 3-(2-methyl-4-oxoquinazolin-3-yl)propyl 2-(4-methoxyphenyl)acetate?
The InChIKey is ZXVIIERIRIIMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-15-22-19-7-4-3-6-18(19)21(25)23(15)12-5-13-27-20(24)14-16-8-10-17(26-2)11-9-16/h3-4,6-11H,5,12-14H2,1-2H3.
What are the key properties of 3-(2-methyl-4-oxoquinazolin-3-yl)propyl 2-(4-methoxyphenyl)acetate?
3-(2-methyl-4-oxoquinazolin-3-yl)propyl 2-(4-methoxyphenyl)acetate has a molecular weight of 366.42 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4-oxoquinazolin-3-yl)propyl 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 30339575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).