ethyl 4-[[(2R)-2-hydroxypropyl]amino]-6-phenoxyquinoline-3-carboxylate

C21H22N2O4 — CID 1188199

IUPACethyl 4-[[(2R)-2-hydroxypropyl]amino]-6-phenoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(Oc3ccccc3)cc2c1NC[C@@H](C)O
InChIInChI=1S/C21H22N2O4/c1-3-26-21(25)18-13-22-19-10-9-16(27-15-7-5-4-6-8-15)11-17(19)20(18)23-12-14(2)24/h4-11,13-14,24H,3,12H2,1-2H3,(H,22,23)/t14-/m1/s1
InChIKeyHWYPDKPZDNANIV-CQSZACIVSA-N
MW366.42 g/mol
LogP4.00
Rot. Bonds7

About ethyl 4-[[(2R)-2-hydroxypropyl]amino]-6-phenoxyquinoline-3-carboxylate

ethyl 4-[[(2R)-2-hydroxypropyl]amino]-6-phenoxyquinoline-3-carboxylate (PubChem CID 1188199) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is ethyl 4-[[(2R)-2-hydroxypropyl]amino]-6-phenoxyquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(2R)-2-hydroxypropyl]amino]-6-phenoxyquinoline-3-carboxylate
PubChem CID1188199
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Nameethyl 4-[[(2R)-2-hydroxypropyl]amino]-6-phenoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(Oc3ccccc3)cc2c1NC[C@@H](C)O
InChIInChI=1S/C21H22N2O4/c1-3-26-21(25)18-13-22-19-10-9-16(27-15-7-5-4-6-8-15)11-17(19)20(18)23-12-14(2)24/h4-11,13-14,24H,3,12H2,1-2H3,(H,22,23)/t14-/m1/s1
InChIKeyHWYPDKPZDNANIV-CQSZACIVSA-N
XLogP4.00
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-ethoxy-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate
CID 705522
ethyl 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylate
CID 2791600
ethyl 4-[3-(dimethylamino)propylamino]-6-phenoxyquinoline-3-carboxylate
CID 172914482
ethyl 6-bromo-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate
CID 992369
4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride
CID 20982484
ethyl 4-(2,2-difluoroethylamino)-6-fluoroquinoline-3-carboxylate
CID 133368454
ethyl 4-(benzylamino)-6-fluoroquinoline-3-carboxylate
CID 732002
ethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 46397911
ethyl 6-ethoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 1187166
ethyl 4-[[(2R)-2-hydroxypropyl]amino]-8-methoxyquinoline-3-carboxylate
CID 708704
ethyl 6-ethoxy-4-(4-propan-2-ylanilino)quinoline-3-carboxylate
CID 22333888
ethyl 7-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate
CID 2791596

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(2R)-2-hydroxypropyl]amino]-6-phenoxyquinoline-3-carboxylate?
The IUPAC name of ethyl 4-[[(2R)-2-hydroxypropyl]amino]-6-phenoxyquinoline-3-carboxylate (CID 1188199) is ethyl 4-[[(2R)-2-hydroxypropyl]amino]-6-phenoxyquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-[[(2R)-2-hydroxypropyl]amino]-6-phenoxyquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-[[(2R)-2-hydroxypropyl]amino]-6-phenoxyquinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(Oc3ccccc3)cc2c1NC[C@@H](C)O.
What is the InChIKey of ethyl 4-[[(2R)-2-hydroxypropyl]amino]-6-phenoxyquinoline-3-carboxylate?
The InChIKey is HWYPDKPZDNANIV-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-3-26-21(25)18-13-22-19-10-9-16(27-15-7-5-4-6-8-15)11-17(19)20(18)23-12-14(2)24/h4-11,13-14,24H,3,12H2,1-2H3,(H,22,23)/t14-/m1/s1.
What are the key properties of ethyl 4-[[(2R)-2-hydroxypropyl]amino]-6-phenoxyquinoline-3-carboxylate?
ethyl 4-[[(2R)-2-hydroxypropyl]amino]-6-phenoxyquinoline-3-carboxylate has a molecular weight of 366.42 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(2R)-2-hydroxypropyl]amino]-6-phenoxyquinoline-3-carboxylate is sourced from PubChem (CID 1188199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).