(4-aminoquinazolin-2-yl)methyl 4-(4-ethoxyphenyl)-4-oxobutanoate

C21H21N3O4 — CID 27908531

IUPAC(4-aminoquinazolin-2-yl)methyl 4-(4-ethoxyphenyl)-4-oxobutanoate
SMILESCCOc1ccc(C(=O)CCC(=O)OCc2nc(N)c3ccccc3n2)cc1
InChIInChI=1S/C21H21N3O4/c1-2-27-15-9-7-14(8-10-15)18(25)11-12-20(26)28-13-19-23-17-6-4-3-5-16(17)21(22)24-19/h3-10H,2,11-13H2,1H3,(H2,22,23,24)
InChIKeyUPZLLKNSJJRDJR-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.32
Rot. Bonds8

About (4-aminoquinazolin-2-yl)methyl 4-(4-ethoxyphenyl)-4-oxobutanoate

(4-aminoquinazolin-2-yl)methyl 4-(4-ethoxyphenyl)-4-oxobutanoate (PubChem CID 27908531) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is (4-aminoquinazolin-2-yl)methyl 4-(4-ethoxyphenyl)-4-oxobutanoate.

Molecular Properties

Compound Name(4-aminoquinazolin-2-yl)methyl 4-(4-ethoxyphenyl)-4-oxobutanoate
PubChem CID27908531
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name(4-aminoquinazolin-2-yl)methyl 4-(4-ethoxyphenyl)-4-oxobutanoate
SMILESCCOc1ccc(C(=O)CCC(=O)OCc2nc(N)c3ccccc3n2)cc1
InChIInChI=1S/C21H21N3O4/c1-2-27-15-9-7-14(8-10-15)18(25)11-12-20(26)28-13-19-23-17-6-4-3-5-16(17)21(22)24-19/h3-10H,2,11-13H2,1H3,(H2,22,23,24)
InChIKeyUPZLLKNSJJRDJR-UHFFFAOYSA-N
XLogP3.32
TPSA104.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4-aminoquinazolin-2-yl)methyl 4-(4-ethoxyphenyl)-4-oxobutanoate with MolForge

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Related Compounds

(4-aminoquinazolin-2-yl)methyl 3-phenoxypropanoate
CID 27914976
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 28568700
(4-aminoquinazolin-2-yl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 55453723
ethyl 4-[(4-methylquinazolin-2-yl)methoxy]benzoate
CID 112816009
(4-aminoquinazolin-2-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 27923645
benzyl 4-(4-methoxyphenyl)-4-oxobutanoate
CID 14321218
(4-aminoquinazolin-2-yl)methyl 2-methyl-2-phenylpropanoate
CID 9451851
ethyl 5-(4-ethoxyphenyl)-5-oxopentanoate
CID 24727563
4-(4-ethoxyphenyl)-N-naphthalen-1-yl-4-oxobutanamide
CID 880449
(4-aminoquinazolin-2-yl)methyl 2,6-dimethoxybenzoate
CID 9451142
4-(4-ethoxyphenyl)-4-oxo-N'-phenylbutanehydrazide
CID 78774846
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 4-oxo-4-phenylbutanoate
CID 27957877

Frequently Asked Questions

What is the IUPAC name of (4-aminoquinazolin-2-yl)methyl 4-(4-ethoxyphenyl)-4-oxobutanoate?
The IUPAC name of (4-aminoquinazolin-2-yl)methyl 4-(4-ethoxyphenyl)-4-oxobutanoate (CID 27908531) is (4-aminoquinazolin-2-yl)methyl 4-(4-ethoxyphenyl)-4-oxobutanoate.
What is the SMILES notation for (4-aminoquinazolin-2-yl)methyl 4-(4-ethoxyphenyl)-4-oxobutanoate?
The canonical SMILES for (4-aminoquinazolin-2-yl)methyl 4-(4-ethoxyphenyl)-4-oxobutanoate is CCOc1ccc(C(=O)CCC(=O)OCc2nc(N)c3ccccc3n2)cc1.
What is the InChIKey of (4-aminoquinazolin-2-yl)methyl 4-(4-ethoxyphenyl)-4-oxobutanoate?
The InChIKey is UPZLLKNSJJRDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-2-27-15-9-7-14(8-10-15)18(25)11-12-20(26)28-13-19-23-17-6-4-3-5-16(17)21(22)24-19/h3-10H,2,11-13H2,1H3,(H2,22,23,24).
What are the key properties of (4-aminoquinazolin-2-yl)methyl 4-(4-ethoxyphenyl)-4-oxobutanoate?
(4-aminoquinazolin-2-yl)methyl 4-(4-ethoxyphenyl)-4-oxobutanoate has a molecular weight of 379.42 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminoquinazolin-2-yl)methyl 4-(4-ethoxyphenyl)-4-oxobutanoate is sourced from PubChem (CID 27908531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).