ethyl 4-[[(2R)-2-hydroxypropyl]amino]-8-methoxyquinoline-3-carboxylate

C16H20N2O4 — CID 708704

IUPACethyl 4-[[(2R)-2-hydroxypropyl]amino]-8-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1NC[C@@H](C)O
InChIInChI=1S/C16H20N2O4/c1-4-22-16(20)12-9-18-15-11(6-5-7-13(15)21-3)14(12)17-8-10(2)19/h5-7,9-10,19H,4,8H2,1-3H3,(H,17,18)/t10-/m1/s1
InChIKeyVJFDDPLOPCDGLM-SNVBAGLBSA-N
MW304.35 g/mol
LogP2.21
Rot. Bonds6

About ethyl 4-[[(2R)-2-hydroxypropyl]amino]-8-methoxyquinoline-3-carboxylate

ethyl 4-[[(2R)-2-hydroxypropyl]amino]-8-methoxyquinoline-3-carboxylate (PubChem CID 708704) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is ethyl 4-[[(2R)-2-hydroxypropyl]amino]-8-methoxyquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(2R)-2-hydroxypropyl]amino]-8-methoxyquinoline-3-carboxylate
PubChem CID708704
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Nameethyl 4-[[(2R)-2-hydroxypropyl]amino]-8-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1NC[C@@H](C)O
InChIInChI=1S/C16H20N2O4/c1-4-22-16(20)12-9-18-15-11(6-5-7-13(15)21-3)14(12)17-8-10(2)19/h5-7,9-10,19H,4,8H2,1-3H3,(H,17,18)/t10-/m1/s1
InChIKeyVJFDDPLOPCDGLM-SNVBAGLBSA-N
XLogP2.21
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 8-methoxy-4-(1-phenylethylamino)quinoline-3-carboxylate;hydrate
CID 20529010
ethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride
CID 13038443
ethyl 7-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate
CID 2791596
6-[(3-ethoxycarbonyl-8-methoxyquinolin-4-yl)amino]hexanoate
CID 7320785
ethyl 8-methoxy-4-(naphthalen-1-ylamino)quinoline-3-carboxylate
CID 1190582
ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 13038439
ethyl 4-(2,5-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate
CID 22333868
ethyl 8-amino-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate
CID 10247376
ethyl 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylate
CID 2791600
ethyl 4-(2-ethylanilino)-8-methoxyquinoline-3-carboxylate phosphate
CID 20529012
ethyl 6-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate
CID 2791591
ethyl 8-methoxy-4-(4-phenylmethoxyanilino)quinoline-3-carboxylate
CID 23769624

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(2R)-2-hydroxypropyl]amino]-8-methoxyquinoline-3-carboxylate?
The IUPAC name of ethyl 4-[[(2R)-2-hydroxypropyl]amino]-8-methoxyquinoline-3-carboxylate (CID 708704) is ethyl 4-[[(2R)-2-hydroxypropyl]amino]-8-methoxyquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-[[(2R)-2-hydroxypropyl]amino]-8-methoxyquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-[[(2R)-2-hydroxypropyl]amino]-8-methoxyquinoline-3-carboxylate is CCOC(=O)c1cnc2c(OC)cccc2c1NC[C@@H](C)O.
What is the InChIKey of ethyl 4-[[(2R)-2-hydroxypropyl]amino]-8-methoxyquinoline-3-carboxylate?
The InChIKey is VJFDDPLOPCDGLM-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-4-22-16(20)12-9-18-15-11(6-5-7-13(15)21-3)14(12)17-8-10(2)19/h5-7,9-10,19H,4,8H2,1-3H3,(H,17,18)/t10-/m1/s1.
What are the key properties of ethyl 4-[[(2R)-2-hydroxypropyl]amino]-8-methoxyquinoline-3-carboxylate?
ethyl 4-[[(2R)-2-hydroxypropyl]amino]-8-methoxyquinoline-3-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 2.21, 6 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]-8-methoxyquinoline-3-carboxylate is sourced from PubChem (CID 708704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).