ethyl 4-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]quinoline-3-carboxylate

C24H32N4O3 — CID 18191638

IUPACethyl 4-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]quinoline-3-carboxylate
SMILESCCOC(=O)c1c(CN2CCN(CC(=O)N3CCCC3)CC2)nc2ccccc2c1C
InChIInChI=1S/C24H32N4O3/c1-3-31-24(30)23-18(2)19-8-4-5-9-20(19)25-21(23)16-26-12-14-27(15-13-26)17-22(29)28-10-6-7-11-28/h4-5,8-9H,3,6-7,10-17H2,1-2H3
InChIKeyMPOMECBVIOGEOY-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.46
Rot. Bonds6

About ethyl 4-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]quinoline-3-carboxylate

ethyl 4-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]quinoline-3-carboxylate (PubChem CID 18191638) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is ethyl 4-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]quinoline-3-carboxylate
PubChem CID18191638
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Nameethyl 4-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]quinoline-3-carboxylate
SMILESCCOC(=O)c1c(CN2CCN(CC(=O)N3CCCC3)CC2)nc2ccccc2c1C
InChIInChI=1S/C24H32N4O3/c1-3-31-24(30)23-18(2)19-8-4-5-9-20(19)25-21(23)16-26-12-14-27(15-13-26)17-22(29)28-10-6-7-11-28/h4-5,8-9H,3,6-7,10-17H2,1-2H3
InChIKeyMPOMECBVIOGEOY-UHFFFAOYSA-N
XLogP2.46
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]quinoline-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

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methyl 2-(azocan-1-ylmethyl)-4-methylquinoline-3-carboxylate
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ethyl 4-methyl-2-[(1-oxoisoquinolin-2-yl)methyl]quinoline-3-carboxylate
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CID 96538207
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[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-ethyl-4-methylquinoline-3-carboxylate
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1-O-tert-butyl 4-O-[(3-ethoxycarbonyl-4-methylquinolin-2-yl)methyl] piperidine-1,4-dicarboxylate
CID 55392787
ethyl 4-methyl-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]oxymethyl]quinoline-3-carboxylate
CID 8020793
methyl 2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-4-methylquinoline-3-carboxylate
CID 8540042
ethyl 2,4-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)-5-phenylpyrrole-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]quinoline-3-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]quinoline-3-carboxylate (CID 18191638) is ethyl 4-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]quinoline-3-carboxylate is CCOC(=O)c1c(CN2CCN(CC(=O)N3CCCC3)CC2)nc2ccccc2c1C.
What is the InChIKey of ethyl 4-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]quinoline-3-carboxylate?
The InChIKey is MPOMECBVIOGEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-3-31-24(30)23-18(2)19-8-4-5-9-20(19)25-21(23)16-26-12-14-27(15-13-26)17-22(29)28-10-6-7-11-28/h4-5,8-9H,3,6-7,10-17H2,1-2H3.
What are the key properties of ethyl 4-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]quinoline-3-carboxylate?
ethyl 4-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]quinoline-3-carboxylate has a molecular weight of 424.55 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]quinoline-3-carboxylate is sourced from PubChem (CID 18191638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).