ethyl 7-methoxy-4-piperazin-1-ylquinoline-3-carboxylate

C17H21N3O3 — CID 50877331

IUPACethyl 7-methoxy-4-piperazin-1-ylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OC)ccc2c1N1CCNCC1
InChIInChI=1S/C17H21N3O3/c1-3-23-17(21)14-11-19-15-10-12(22-2)4-5-13(15)16(14)20-8-6-18-7-9-20/h4-5,10-11,18H,3,6-9H2,1-2H3
InChIKeyGCTOOBAQRJRBGL-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.83
Rot. Bonds4

About ethyl 7-methoxy-4-piperazin-1-ylquinoline-3-carboxylate

ethyl 7-methoxy-4-piperazin-1-ylquinoline-3-carboxylate (PubChem CID 50877331) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is ethyl 7-methoxy-4-piperazin-1-ylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-methoxy-4-piperazin-1-ylquinoline-3-carboxylate
PubChem CID50877331
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Nameethyl 7-methoxy-4-piperazin-1-ylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OC)ccc2c1N1CCNCC1
InChIInChI=1S/C17H21N3O3/c1-3-23-17(21)14-11-19-15-10-12(22-2)4-5-13(15)16(14)20-8-6-18-7-9-20/h4-5,10-11,18H,3,6-9H2,1-2H3
InChIKeyGCTOOBAQRJRBGL-UHFFFAOYSA-N
XLogP1.83
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-ethoxy-4-piperazin-1-ylquinoline-3-carboxylate
CID 66487373
ethyl 4-piperazin-1-ylquinoline-3-carboxylate
CID 13295826
ethyl 4-(4-ethyl-1,4-diazepan-1-yl)-6-methoxyquinoline-3-carboxylate
CID 133388687
ethyl 4-[3-(1-hydroxyethyl)piperidin-1-yl]-6-methoxyquinoline-3-carboxylate
CID 133397813
ethyl 4-thiomorpholin-4-ylquinoline-3-carboxylate
CID 52805665
1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid
CID 122047501
4-bromo-6-methoxyquinoline-3-carboxylic acid;ethyl 4-bromo-6-methoxyquinoline-3-carboxylate
CID 68806216
ethyl 4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylate
CID 133277711
3-bromo-6-methoxy-4-piperazin-1-ylquinoline
CID 121236333
ethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 46397911
4-amino-7-methoxyquinoline-3-carboxylic acid
CID 50877276
ethyl 7-methoxyquinoline-3-carboxylate;hydrochloride
CID 22326874

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methoxy-4-piperazin-1-ylquinoline-3-carboxylate?
The IUPAC name of ethyl 7-methoxy-4-piperazin-1-ylquinoline-3-carboxylate (CID 50877331) is ethyl 7-methoxy-4-piperazin-1-ylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-methoxy-4-piperazin-1-ylquinoline-3-carboxylate?
The canonical SMILES for ethyl 7-methoxy-4-piperazin-1-ylquinoline-3-carboxylate is CCOC(=O)c1cnc2cc(OC)ccc2c1N1CCNCC1.
What is the InChIKey of ethyl 7-methoxy-4-piperazin-1-ylquinoline-3-carboxylate?
The InChIKey is GCTOOBAQRJRBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-3-23-17(21)14-11-19-15-10-12(22-2)4-5-13(15)16(14)20-8-6-18-7-9-20/h4-5,10-11,18H,3,6-9H2,1-2H3.
What are the key properties of ethyl 7-methoxy-4-piperazin-1-ylquinoline-3-carboxylate?
ethyl 7-methoxy-4-piperazin-1-ylquinoline-3-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methoxy-4-piperazin-1-ylquinoline-3-carboxylate is sourced from PubChem (CID 50877331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).