ethyl 4-[2-[2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]quinoline-2-carboxylate

C23H27N3O5 — CID 68598683

IUPACethyl 4-[2-[2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]quinoline-2-carboxylate
SMILESCCOC(=O)c1cc(OCC(=O)N2CCCC2C(=O)NC2CCC2)c2ccccc2n1
InChIInChI=1S/C23H27N3O5/c1-2-30-23(29)18-13-20(16-9-3-4-10-17(16)25-18)31-14-21(27)26-12-6-11-19(26)22(28)24-15-7-5-8-15/h3-4,9-10,13,15,19H,2,5-8,11-12,14H2,1H3,(H,24,28)
InChIKeyGMBKHAAPJMAGKU-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.45
Rot. Bonds7

About ethyl 4-[2-[2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]quinoline-2-carboxylate

ethyl 4-[2-[2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]quinoline-2-carboxylate (PubChem CID 68598683) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is ethyl 4-[2-[2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]quinoline-2-carboxylate
PubChem CID68598683
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC Nameethyl 4-[2-[2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]quinoline-2-carboxylate
SMILESCCOC(=O)c1cc(OCC(=O)N2CCCC2C(=O)NC2CCC2)c2ccccc2n1
InChIInChI=1S/C23H27N3O5/c1-2-30-23(29)18-13-20(16-9-3-4-10-17(16)25-18)31-14-21(27)26-12-6-11-19(26)22(28)24-15-7-5-8-15/h3-4,9-10,13,15,19H,2,5-8,11-12,14H2,1H3,(H,24,28)
InChIKeyGMBKHAAPJMAGKU-UHFFFAOYSA-N
XLogP2.45
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-[2-[2-(cyclopropylcarbamoyl)piperidin-1-yl]-2-oxoethoxy]quinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid
CID 68597123
(2S)-2-[[4-[2-[(2S)-2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]quinoline-2-carbonyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 68599118
2-(2-ethoxycarbonylquinolin-4-yl)oxyacetic acid
CID 68600255
4-[[4-[2-[2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-7-fluoroquinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid
CID 68600293
4-[[4-[2-[2-(cyclopropylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-7-ethylquinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid
CID 68600475
ethyl 4-[(2S)-2-[[4-[2-[(2S)-2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-7-methylquinoline-2-carbonyl]amino]-5-ethoxy-5-oxopentanoyl]piperazine-1-carboxylate
CID 68598256
4-[[4-[2-[2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-7-methylquinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid
CID 68601640
ethyl 4-[2-[[4-[2-[2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-7-methylquinoline-2-carbonyl]amino]-5-(cyclopropylamino)-5-oxopentanoyl]piperazine-1-carboxylate
CID 68601522
ethyl 4-[2-[[4-[2-[2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-6-fluoroquinoline-2-carbonyl]amino]-5-ethoxy-5-oxopentanoyl]piperazine-1-carboxylate
CID 68598584
4-[[4-[2-[2-(cyclopropylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-7-methylquinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid
CID 68597886
(4S)-4-[[4-[2-[(2S)-2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]quinoline-2-carbonyl]amino]-5-[4-(3-methoxyphenyl)piperazin-1-yl]-5-oxopentanoic acid
CID 68599357
ethyl 4-[2-[[4-[2-[2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-7-methylquinoline-2-carbonyl]amino]-5-(ethylamino)-5-oxopentanoyl]piperazine-1-carboxylate
CID 68602014

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]quinoline-2-carboxylate?
The IUPAC name of ethyl 4-[2-[2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]quinoline-2-carboxylate (CID 68598683) is ethyl 4-[2-[2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]quinoline-2-carboxylate.
What is the SMILES notation for ethyl 4-[2-[2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]quinoline-2-carboxylate?
The canonical SMILES for ethyl 4-[2-[2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]quinoline-2-carboxylate is CCOC(=O)c1cc(OCC(=O)N2CCCC2C(=O)NC2CCC2)c2ccccc2n1.
What is the InChIKey of ethyl 4-[2-[2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]quinoline-2-carboxylate?
The InChIKey is GMBKHAAPJMAGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-2-30-23(29)18-13-20(16-9-3-4-10-17(16)25-18)31-14-21(27)26-12-6-11-19(26)22(28)24-15-7-5-8-15/h3-4,9-10,13,15,19H,2,5-8,11-12,14H2,1H3,(H,24,28).
What are the key properties of ethyl 4-[2-[2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]quinoline-2-carboxylate?
ethyl 4-[2-[2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]quinoline-2-carboxylate has a molecular weight of 425.49 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]quinoline-2-carboxylate is sourced from PubChem (CID 68598683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).