ethyl 6-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate

C16H19ClN2O3 — CID 2791591

IUPACethyl 6-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)cc(Cl)cc2c1NCC(C)O
InChIInChI=1S/C16H19ClN2O3/c1-4-22-16(21)13-8-19-14-9(2)5-11(17)6-12(14)15(13)18-7-10(3)20/h5-6,8,10,20H,4,7H2,1-3H3,(H,18,19)
InChIKeyVXKRKLUEACCCBH-UHFFFAOYSA-N
MW322.79 g/mol
LogP3.17
Rot. Bonds5

About ethyl 6-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate

ethyl 6-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate (PubChem CID 2791591) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is ethyl 6-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate
PubChem CID2791591
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Nameethyl 6-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)cc(Cl)cc2c1NCC(C)O
InChIInChI=1S/C16H19ClN2O3/c1-4-22-16(21)13-8-19-14-9(2)5-11(17)6-12(14)15(13)18-7-10(3)20/h5-6,8,10,20H,4,7H2,1-3H3,(H,18,19)
InChIKeyVXKRKLUEACCCBH-UHFFFAOYSA-N
XLogP3.17
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-chloro-8-methyl-4-(propylamino)quinoline-3-carboxylate
CID 63486439
ethyl 7-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate
CID 2791596
3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]propyl-dimethylazanium
CID 3354209
ethyl 6-chloro-8-methyl-4-(3-methylanilino)quinoline-3-carboxylate
CID 1186854
ethyl 8-bromo-6-chloro-4-(propylamino)quinoline-3-carboxylate
CID 81256553
ethyl 4-[[(2R)-2-hydroxypropyl]amino]-8-methoxyquinoline-3-carboxylate
CID 708704
3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 2790542
ethyl 6-ethoxy-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate
CID 705522
ethyl 6-bromo-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate
CID 992369
ethyl 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylate
CID 2791600
ethyl 8-chloro-4-(ethylamino)-6-methylquinoline-3-carboxylate
CID 63486779
ethyl 8-chloro-4-(ethylamino)-6-fluoroquinoline-3-carboxylate
CID 63486784

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate?
The IUPAC name of ethyl 6-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate (CID 2791591) is ethyl 6-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate is CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1NCC(C)O.
What is the InChIKey of ethyl 6-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate?
The InChIKey is VXKRKLUEACCCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-4-22-16(21)13-8-19-14-9(2)5-11(17)6-12(14)15(13)18-7-10(3)20/h5-6,8,10,20H,4,7H2,1-3H3,(H,18,19).
What are the key properties of ethyl 6-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate?
ethyl 6-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate has a molecular weight of 322.79 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate is sourced from PubChem (CID 2791591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).