ethyl 4-[2-[benzyl(ethyl)amino]-2-oxoethoxy]quinazoline-2-carboxylate

C22H23N3O4 — CID 95923363

IUPACethyl 4-[2-[benzyl(ethyl)amino]-2-oxoethoxy]quinazoline-2-carboxylate
SMILESCCOC(=O)c1nc(OCC(=O)N(CC)Cc2ccccc2)c2ccccc2n1
InChIInChI=1S/C22H23N3O4/c1-3-25(14-16-10-6-5-7-11-16)19(26)15-29-21-17-12-8-9-13-18(17)23-20(24-21)22(27)28-4-2/h5-13H,3-4,14-15H2,1-2H3
InChIKeyPISDITBEZCHZKX-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.23
Rot. Bonds8

About ethyl 4-[2-[benzyl(ethyl)amino]-2-oxoethoxy]quinazoline-2-carboxylate

ethyl 4-[2-[benzyl(ethyl)amino]-2-oxoethoxy]quinazoline-2-carboxylate (PubChem CID 95923363) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is ethyl 4-[2-[benzyl(ethyl)amino]-2-oxoethoxy]quinazoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[benzyl(ethyl)amino]-2-oxoethoxy]quinazoline-2-carboxylate
PubChem CID95923363
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Nameethyl 4-[2-[benzyl(ethyl)amino]-2-oxoethoxy]quinazoline-2-carboxylate
SMILESCCOC(=O)c1nc(OCC(=O)N(CC)Cc2ccccc2)c2ccccc2n1
InChIInChI=1S/C22H23N3O4/c1-3-25(14-16-10-6-5-7-11-16)19(26)15-29-21-17-12-8-9-13-18(17)23-20(24-21)22(27)28-4-2/h5-13H,3-4,14-15H2,1-2H3
InChIKeyPISDITBEZCHZKX-UHFFFAOYSA-N
XLogP3.23
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[benzyl(ethyl)amino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7889975
4-ethoxyquinazoline-2-carboxylic acid
CID 63869088
N-benzyl-N-ethyl-2-(2-methoxyphenoxy)acetamide
CID 78762319
N-benzyl-2-(3-ethoxyphenoxy)-N-ethylacetamide
CID 112977716
[2-[benzyl(ethyl)amino]-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate
CID 18270385
N-ethyl-2-(3-ethylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135821082
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
ethyl 2-(2-phenylquinazolin-4-yl)oxyacetate
CID 741296
N-benzyl-2-(4-chloro-2-methylphenoxy)-N-ethylacetamide
CID 112978890
ethyl 4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylate
CID 45107020
2-(2-acetamidophenoxy)-N-benzyl-N-ethylacetamide
CID 7867368
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate
CID 7690818

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[benzyl(ethyl)amino]-2-oxoethoxy]quinazoline-2-carboxylate?
The IUPAC name of ethyl 4-[2-[benzyl(ethyl)amino]-2-oxoethoxy]quinazoline-2-carboxylate (CID 95923363) is ethyl 4-[2-[benzyl(ethyl)amino]-2-oxoethoxy]quinazoline-2-carboxylate.
What is the SMILES notation for ethyl 4-[2-[benzyl(ethyl)amino]-2-oxoethoxy]quinazoline-2-carboxylate?
The canonical SMILES for ethyl 4-[2-[benzyl(ethyl)amino]-2-oxoethoxy]quinazoline-2-carboxylate is CCOC(=O)c1nc(OCC(=O)N(CC)Cc2ccccc2)c2ccccc2n1.
What is the InChIKey of ethyl 4-[2-[benzyl(ethyl)amino]-2-oxoethoxy]quinazoline-2-carboxylate?
The InChIKey is PISDITBEZCHZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-3-25(14-16-10-6-5-7-11-16)19(26)15-29-21-17-12-8-9-13-18(17)23-20(24-21)22(27)28-4-2/h5-13H,3-4,14-15H2,1-2H3.
What are the key properties of ethyl 4-[2-[benzyl(ethyl)amino]-2-oxoethoxy]quinazoline-2-carboxylate?
ethyl 4-[2-[benzyl(ethyl)amino]-2-oxoethoxy]quinazoline-2-carboxylate has a molecular weight of 393.44 g/mol, XLogP of 3.23, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[benzyl(ethyl)amino]-2-oxoethoxy]quinazoline-2-carboxylate is sourced from PubChem (CID 95923363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).