ethyl 6-[(4-chlorophenyl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carboxylate

C25H25ClN2O4 — CID 155343635

IUPACethyl 6-[(4-chlorophenyl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carboxylate
SMILESCCOC(=O)c1cc(C(=O)N2CCCCC2)c2cc(OCc3ccc(Cl)cc3)ccc2n1
InChIInChI=1S/C25H25ClN2O4/c1-2-31-25(30)23-15-21(24(29)28-12-4-3-5-13-28)20-14-19(10-11-22(20)27-23)32-16-17-6-8-18(26)9-7-17/h6-11,14-15H,2-5,12-13,16H2,1H3
InChIKeyRTPPLENDECNRAX-UHFFFAOYSA-N
MW452.94 g/mol
LogP5.27
Rot. Bonds6

About ethyl 6-[(4-chlorophenyl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carboxylate

ethyl 6-[(4-chlorophenyl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carboxylate (PubChem CID 155343635) has the molecular formula C25H25ClN2O4 and a molecular weight of 452.94 g/mol. Its IUPAC name is ethyl 6-[(4-chlorophenyl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(4-chlorophenyl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carboxylate
PubChem CID155343635
Molecular FormulaC25H25ClN2O4
Molecular Weight452.94 g/mol
Exact Mass452.15
IUPAC Nameethyl 6-[(4-chlorophenyl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carboxylate
SMILESCCOC(=O)c1cc(C(=O)N2CCCCC2)c2cc(OCc3ccc(Cl)cc3)ccc2n1
InChIInChI=1S/C25H25ClN2O4/c1-2-31-25(30)23-15-21(24(29)28-12-4-3-5-13-28)20-14-19(10-11-22(20)27-23)32-16-17-6-8-18(26)9-7-17/h6-11,14-15H,2-5,12-13,16H2,1H3
InChIKeyRTPPLENDECNRAX-UHFFFAOYSA-N
XLogP5.27
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.94
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate
CID 10991740
2,4-bis(ethoxycarbonyl)quinoline-6-carboxylic acid
CID 71486114
[6-(1,3-benzothiazol-2-ylmethoxy)-2-[4-(2,2-difluoropropyl)piperazine-1-carbonyl]quinolin-4-yl]-piperidin-1-ylmethanone
CID 167565090
(3S)-1-[3-[(4-chlorophenyl)methoxy]benzoyl]piperidine-3-carboxylic acid
CID 119173769
[6-chloro-4-[(4-ethylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone
CID 71825088
diethyl 4-[4-[(4-chlorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232718
ethyl 6-chloro-4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]quinoline-2-carboxylate
CID 53043313
[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 164830110
ethyl 6-chloro-4-phenylquinoline-2-carboxylate
CID 53355070
3-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile
CID 164830152
(6-chloro-2-pyridin-4-ylquinolin-4-yl)-piperidin-1-ylmethanone
CID 17375203
ethyl 6-acetyl-4-phenylmethoxypyridine-2-carboxylate
CID 90294474

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(4-chlorophenyl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carboxylate?
The IUPAC name of ethyl 6-[(4-chlorophenyl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carboxylate (CID 155343635) is ethyl 6-[(4-chlorophenyl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carboxylate.
What is the SMILES notation for ethyl 6-[(4-chlorophenyl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carboxylate?
The canonical SMILES for ethyl 6-[(4-chlorophenyl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carboxylate is CCOC(=O)c1cc(C(=O)N2CCCCC2)c2cc(OCc3ccc(Cl)cc3)ccc2n1.
What is the InChIKey of ethyl 6-[(4-chlorophenyl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carboxylate?
The InChIKey is RTPPLENDECNRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O4/c1-2-31-25(30)23-15-21(24(29)28-12-4-3-5-13-28)20-14-19(10-11-22(20)27-23)32-16-17-6-8-18(26)9-7-17/h6-11,14-15H,2-5,12-13,16H2,1H3.
What are the key properties of ethyl 6-[(4-chlorophenyl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carboxylate?
ethyl 6-[(4-chlorophenyl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carboxylate has a molecular weight of 452.94 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(4-chlorophenyl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carboxylate is sourced from PubChem (CID 155343635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).