ethyl 6-ethoxy-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate

C17H22N2O4 — CID 705522

IUPACethyl 6-ethoxy-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OCC)cc2c1NC[C@H](C)O
InChIInChI=1S/C17H22N2O4/c1-4-22-12-6-7-15-13(8-12)16(19-9-11(3)20)14(10-18-15)17(21)23-5-2/h6-8,10-11,20H,4-5,9H2,1-3H3,(H,18,19)/t11-/m0/s1
InChIKeyLJIJSXULDIAZRF-NSHDSACASA-N
MW318.37 g/mol
LogP2.60
Rot. Bonds7

About ethyl 6-ethoxy-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate

ethyl 6-ethoxy-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate (PubChem CID 705522) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is ethyl 6-ethoxy-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethoxy-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate
PubChem CID705522
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Nameethyl 6-ethoxy-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OCC)cc2c1NC[C@H](C)O
InChIInChI=1S/C17H22N2O4/c1-4-22-12-6-7-15-13(8-12)16(19-9-11(3)20)14(10-18-15)17(21)23-5-2/h6-8,10-11,20H,4-5,9H2,1-3H3,(H,18,19)/t11-/m0/s1
InChIKeyLJIJSXULDIAZRF-NSHDSACASA-N
XLogP2.60
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylate
CID 2791600
ethyl 4-[[(2R)-2-hydroxypropyl]amino]-6-phenoxyquinoline-3-carboxylate
CID 1188199
ethyl 6-bromo-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate
CID 992369
ethyl 6-ethoxy-4-(4-propan-2-ylanilino)quinoline-3-carboxylate
CID 22333888
ethyl 4-(cyclohexylamino)-6-ethoxyquinoline-3-carboxylate
CID 696570
ethyl 6-ethoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 1187166
4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride
CID 20982484
ethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 46397911
ethyl 4-(2,2-difluoroethylamino)-6-fluoroquinoline-3-carboxylate
CID 133368454
3-[(6-ethoxy-3-ethoxycarbonylquinolin-4-yl)amino]benzoic acid
CID 1187193
ethyl 6-ethoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate
CID 22333887
ethyl 7-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate
CID 2791596

Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethoxy-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate?
The IUPAC name of ethyl 6-ethoxy-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate (CID 705522) is ethyl 6-ethoxy-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-ethoxy-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-ethoxy-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(OCC)cc2c1NC[C@H](C)O.
What is the InChIKey of ethyl 6-ethoxy-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate?
The InChIKey is LJIJSXULDIAZRF-NSHDSACASA-N. The full InChI is InChI=1S/C17H22N2O4/c1-4-22-12-6-7-15-13(8-12)16(19-9-11(3)20)14(10-18-15)17(21)23-5-2/h6-8,10-11,20H,4-5,9H2,1-3H3,(H,18,19)/t11-/m0/s1.
What are the key properties of ethyl 6-ethoxy-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate?
ethyl 6-ethoxy-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate has a molecular weight of 318.37 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethoxy-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate is sourced from PubChem (CID 705522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).