ethyl 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylate

C16H20N2O4 — CID 2791600

IUPACethyl 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OC)cc2c1NCC(C)O
InChIInChI=1S/C16H20N2O4/c1-4-22-16(20)13-9-17-14-6-5-11(21-3)7-12(14)15(13)18-8-10(2)19/h5-7,9-10,19H,4,8H2,1-3H3,(H,17,18)
InChIKeyKQYPCANIUMRRTD-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.21
Rot. Bonds6

About ethyl 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylate

ethyl 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylate (PubChem CID 2791600) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is ethyl 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylate
PubChem CID2791600
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Nameethyl 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OC)cc2c1NCC(C)O
InChIInChI=1S/C16H20N2O4/c1-4-22-16(20)13-9-17-14-6-5-11(21-3)7-12(14)15(13)18-8-10(2)19/h5-7,9-10,19H,4,8H2,1-3H3,(H,17,18)
InChIKeyKQYPCANIUMRRTD-UHFFFAOYSA-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 6-ethoxy-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate
CID 705522
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
4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride
CID 20982484
ethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 46397911
ethyl 4-(3-ethoxycarbonylanilino)-6-methoxyquinoline-3-carboxylate
CID 23885216
ethyl 4-(3-bromo-4-methylanilino)-6-methoxyquinoline-3-carboxylate
CID 23903151
ethyl 4-[[(2R)-2-hydroxypropyl]amino]-8-methoxyquinoline-3-carboxylate
CID 708704
3-[(3-ethoxycarbonyl-6-methoxyquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 2790549
ethyl 4-(2,2-difluoroethylamino)-6-fluoroquinoline-3-carboxylate
CID 133368454
4-bromo-6-methoxyquinoline-3-carboxylic acid;ethyl 4-bromo-6-methoxyquinoline-3-carboxylate
CID 68806216
ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methoxyquinoline-3-carboxylate
CID 1032904

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylate?
The IUPAC name of ethyl 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylate (CID 2791600) is ethyl 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(OC)cc2c1NCC(C)O.
What is the InChIKey of ethyl 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylate?
The InChIKey is KQYPCANIUMRRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-4-22-16(20)13-9-17-14-6-5-11(21-3)7-12(14)15(13)18-8-10(2)19/h5-7,9-10,19H,4,8H2,1-3H3,(H,17,18).
What are the key properties of ethyl 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylate?
ethyl 4-(2-hydroxypropylamino)-6-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-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylate is sourced from PubChem (CID 2791600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).