ethyl 4-[[(4S)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]piperidine-1-carboxylate

C19H25N3O5 — CID 97124904

IUPACethyl 4-[[(4S)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)[C@H]2CC(=O)Nc3ccc(OC)cc32)CC1
InChIInChI=1S/C19H25N3O5/c1-3-27-19(25)22-8-6-12(7-9-22)20-18(24)15-11-17(23)21-16-5-4-13(26-2)10-14(15)16/h4-5,10,12,15H,3,6-9,11H2,1-2H3,(H,20,24)(H,21,23)/t15-/m0/s1
InChIKeyWKCQWXGURDPLCP-HNNXBMFYSA-N
MW375.43 g/mol
LogP1.86
Rot. Bonds4

About ethyl 4-[[(4S)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[(4S)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 97124904) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is ethyl 4-[[(4S)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(4S)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]piperidine-1-carboxylate
PubChem CID97124904
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Nameethyl 4-[[(4S)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)[C@H]2CC(=O)Nc3ccc(OC)cc32)CC1
InChIInChI=1S/C19H25N3O5/c1-3-27-19(25)22-8-6-12(7-9-22)20-18(24)15-11-17(23)21-16-5-4-13(26-2)10-14(15)16/h4-5,10,12,15H,3,6-9,11H2,1-2H3,(H,20,24)(H,21,23)/t15-/m0/s1
InChIKeyWKCQWXGURDPLCP-HNNXBMFYSA-N
XLogP1.86
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[(4S)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]amino]piperidine-1-carboxylate
CID 110768127
(4R)-6-methoxy-4-(4-pyridin-4-ylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 97110676
ethyl 4-[[N'-[2-(2,5-dimethoxyphenyl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111044464
(4R)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 95120815
ethyl 4-[(2,5-dimethoxyphenyl)sulfonylamino]piperidine-1-carboxylate
CID 32944673
ethyl 4-[[3-(2,4-dimethoxyanilino)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108950268
ethyl 4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 113209618
ethyl 4-[[2-(3-methoxyanilino)acetyl]amino]piperidine-1-carboxylate
CID 109003753
ethyl 4-[[N'-[3-(3-methoxyphenoxy)propyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111816962
(4S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97127436
ethyl 4-[[(1R)-2,3-dihydro-1H-indene-1-carbonyl]amino]piperidine-1-carboxylate
CID 99939190
ethyl 4-[[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108531181

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(4S)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[(4S)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]piperidine-1-carboxylate (CID 97124904) is ethyl 4-[[(4S)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[(4S)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[(4S)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)[C@H]2CC(=O)Nc3ccc(OC)cc32)CC1.
What is the InChIKey of ethyl 4-[[(4S)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is WKCQWXGURDPLCP-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-3-27-19(25)22-8-6-12(7-9-22)20-18(24)15-11-17(23)21-16-5-4-13(26-2)10-14(15)16/h4-5,10,12,15H,3,6-9,11H2,1-2H3,(H,20,24)(H,21,23)/t15-/m0/s1.
What are the key properties of ethyl 4-[[(4S)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[(4S)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 375.43 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(4S)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 97124904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).