2-(3-methylphenoxy)ethyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate

C20H20N2O4 — CID 46649032

IUPAC2-(3-methylphenoxy)ethyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
SMILESCc1cccc(OCCOC(=O)Cn2cnc3c(C)cccc3c2=O)c1
InChIInChI=1S/C20H20N2O4/c1-14-5-3-7-16(11-14)25-9-10-26-18(23)12-22-13-21-19-15(2)6-4-8-17(19)20(22)24/h3-8,11,13H,9-10,12H2,1-2H3
InChIKeyFDYXLGSUKACYKI-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.64
Rot. Bonds6

About 2-(3-methylphenoxy)ethyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate

2-(3-methylphenoxy)ethyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate (PubChem CID 46649032) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(3-methylphenoxy)ethyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name2-(3-methylphenoxy)ethyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
PubChem CID46649032
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name2-(3-methylphenoxy)ethyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
SMILESCc1cccc(OCCOC(=O)Cn2cnc3c(C)cccc3c2=O)c1
InChIInChI=1S/C20H20N2O4/c1-14-5-3-7-16(11-14)25-9-10-26-18(23)12-22-13-21-19-15(2)6-4-8-17(19)20(22)24/h3-8,11,13H,9-10,12H2,1-2H3
InChIKeyFDYXLGSUKACYKI-UHFFFAOYSA-N
XLogP2.64
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.64
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

benzyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938253
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55804193
(6-methoxynaphthalen-2-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 55554777
(4-propanoylphenyl) 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 24529030
[2-(cyclooctylamino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938357
ethyl 2-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenoxy]acetate
CID 39268281
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938467
[2-(2,5-diethoxyanilino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 42085540
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 35030582
(5-phenyl-1,2-oxazol-3-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 46648710
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27939323
2-(3-methylphenoxy)ethyl butanoate
CID 13247559

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)ethyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate?
The IUPAC name of 2-(3-methylphenoxy)ethyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate (CID 46649032) is 2-(3-methylphenoxy)ethyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for 2-(3-methylphenoxy)ethyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for 2-(3-methylphenoxy)ethyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate is Cc1cccc(OCCOC(=O)Cn2cnc3c(C)cccc3c2=O)c1.
What is the InChIKey of 2-(3-methylphenoxy)ethyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate?
The InChIKey is FDYXLGSUKACYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-14-5-3-7-16(11-14)25-9-10-26-18(23)12-22-13-21-19-15(2)6-4-8-17(19)20(22)24/h3-8,11,13H,9-10,12H2,1-2H3.
What are the key properties of 2-(3-methylphenoxy)ethyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate?
2-(3-methylphenoxy)ethyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate has a molecular weight of 352.39 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)ethyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 46649032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).