ethyl 2-[[2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetyl]amino]acetate

C20H26N4O6S — CID 3245220

IUPACethyl 2-[[2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cn1cnc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O
InChIInChI=1S/C20H26N4O6S/c1-3-30-19(26)11-21-18(25)12-23-13-22-17-5-4-15(10-16(17)20(23)27)31(28,29)24-8-6-14(2)7-9-24/h4-5,10,13-14H,3,6-9,11-12H2,1-2H3,(H,21,25)
InChIKeyVOIINMGMOJAYFX-UHFFFAOYSA-N
MW450.52 g/mol
LogP0.50
Rot. Bonds7

About ethyl 2-[[2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetyl]amino]acetate

ethyl 2-[[2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetyl]amino]acetate (PubChem CID 3245220) has the molecular formula C20H26N4O6S and a molecular weight of 450.52 g/mol. Its IUPAC name is ethyl 2-[[2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetyl]amino]acetate
PubChem CID3245220
Molecular FormulaC20H26N4O6S
Molecular Weight450.52 g/mol
Exact Mass450.16
IUPAC Nameethyl 2-[[2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cn1cnc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O
InChIInChI=1S/C20H26N4O6S/c1-3-30-19(26)11-21-18(25)12-23-13-22-17-5-4-15(10-16(17)20(23)27)31(28,29)24-8-6-14(2)7-9-24/h4-5,10,13-14H,3,6-9,11-12H2,1-2H3,(H,21,25)
InChIKeyVOIINMGMOJAYFX-UHFFFAOYSA-N
XLogP0.50
TPSA127.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[[2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetyl]amino]acetate with MolForge

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide
CID 3238145
2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 15992263
2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-quinolin-3-ylacetamide
CID 6619032
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 25486257
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 43059517
N-butyl-2-[6-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 4137612
ethyl 2-[5-[4-methyl-8-(4-methylpiperidin-1-yl)sulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl]-1,3,4-thiadiazol-2-yl]acetate
CID 70342624
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 30763519
3-[[1-(3-methylphenyl)sulfonylpiperidin-4-yl]methyl]quinazolin-4-one
CID 138988736
2-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1259847
ethyl N-[2-(6-nitro-4-oxoquinazolin-3-yl)acetyl]carbamate
CID 7227310
2-[4-methyl-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-yl]sulfanyl-N-phenylacetamide
CID 46367228

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetyl]amino]acetate (CID 3245220) is ethyl 2-[[2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetyl]amino]acetate is CCOC(=O)CNC(=O)Cn1cnc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O.
What is the InChIKey of ethyl 2-[[2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetyl]amino]acetate?
The InChIKey is VOIINMGMOJAYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O6S/c1-3-30-19(26)11-21-18(25)12-23-13-22-17-5-4-15(10-16(17)20(23)27)31(28,29)24-8-6-14(2)7-9-24/h4-5,10,13-14H,3,6-9,11-12H2,1-2H3,(H,21,25).
What are the key properties of ethyl 2-[[2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetyl]amino]acetate?
ethyl 2-[[2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetyl]amino]acetate has a molecular weight of 450.52 g/mol, XLogP of 0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetyl]amino]acetate is sourced from PubChem (CID 3245220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).