ethyl 7-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate

C16H19ClN2O3 — CID 2791596

IUPACethyl 7-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)c(Cl)ccc2c1NCC(C)O
InChIInChI=1S/C16H19ClN2O3/c1-4-22-16(21)12-8-19-14-10(3)13(17)6-5-11(14)15(12)18-7-9(2)20/h5-6,8-9,20H,4,7H2,1-3H3,(H,18,19)
InChIKeyHUIPQYBAFFTFIW-UHFFFAOYSA-N
MW322.79 g/mol
LogP3.17
Rot. Bonds5

About ethyl 7-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate

ethyl 7-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate (PubChem CID 2791596) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is ethyl 7-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate
PubChem CID2791596
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Nameethyl 7-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)c(Cl)ccc2c1NCC(C)O
InChIInChI=1S/C16H19ClN2O3/c1-4-22-16(21)12-8-19-14-10(3)13(17)6-5-11(14)15(12)18-7-9(2)20/h5-6,8-9,20H,4,7H2,1-3H3,(H,18,19)
InChIKeyHUIPQYBAFFTFIW-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 4-(benzylamino)-7-chloro-8-methylquinoline-3-carboxylate;hydrochloride
CID 2789452
ethyl 6-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate
CID 2791591
ethyl 4-[[(2R)-2-hydroxypropyl]amino]-8-methoxyquinoline-3-carboxylate
CID 708704
ethyl 7-chloro-4-(4-ethoxyanilino)-8-methylquinoline-3-carboxylate
CID 1183948
ethyl 7-chloro-4-(4-methoxyanilino)-8-methylquinoline-3-carboxylate
CID 1183946
ethyl 6-bromo-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate
CID 992369
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-[[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]amino]-7,8-dimethylquinoline-3-carboxylate
CID 133394515
ethyl 5-chloro-4-(ethylamino)-8-methylquinoline-3-carboxylate
CID 63484840
ethyl 8-chloro-4-(ethylamino)-6-methylquinoline-3-carboxylate
CID 63486779
ethyl 4-[[(2R)-2-hydroxypropyl]amino]-6-phenoxyquinoline-3-carboxylate
CID 1188199

Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate?
The IUPAC name of ethyl 7-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate (CID 2791596) is ethyl 7-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate?
The canonical SMILES for ethyl 7-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate is CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1NCC(C)O.
What is the InChIKey of ethyl 7-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate?
The InChIKey is HUIPQYBAFFTFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-4-22-16(21)12-8-19-14-10(3)13(17)6-5-11(14)15(12)18-7-9(2)20/h5-6,8-9,20H,4,7H2,1-3H3,(H,18,19).
What are the key properties of ethyl 7-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate?
ethyl 7-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 7-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate is sourced from PubChem (CID 2791596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).