ethyl 6-fluoro-4-[2-hydroxyethyl(methyl)amino]-8-methylquinoline-3-carboxylate

C16H19FN2O3 — CID 133381447

IUPACethyl 6-fluoro-4-[2-hydroxyethyl(methyl)amino]-8-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)cc(F)cc2c1N(C)CCO
InChIInChI=1S/C16H19FN2O3/c1-4-22-16(21)13-9-18-14-10(2)7-11(17)8-12(14)15(13)19(3)5-6-20/h7-9,20H,4-6H2,1-3H3
InChIKeyJKLDWCBAVSXTSO-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.29
Rot. Bonds5

About ethyl 6-fluoro-4-[2-hydroxyethyl(methyl)amino]-8-methylquinoline-3-carboxylate

ethyl 6-fluoro-4-[2-hydroxyethyl(methyl)amino]-8-methylquinoline-3-carboxylate (PubChem CID 133381447) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is ethyl 6-fluoro-4-[2-hydroxyethyl(methyl)amino]-8-methylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoro-4-[2-hydroxyethyl(methyl)amino]-8-methylquinoline-3-carboxylate
PubChem CID133381447
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Nameethyl 6-fluoro-4-[2-hydroxyethyl(methyl)amino]-8-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)cc(F)cc2c1N(C)CCO
InChIInChI=1S/C16H19FN2O3/c1-4-22-16(21)13-9-18-14-10(2)7-11(17)8-12(14)15(13)19(3)5-6-20/h7-9,20H,4-6H2,1-3H3
InChIKeyJKLDWCBAVSXTSO-UHFFFAOYSA-N
XLogP2.29
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-amino-6-fluoro-8-methylquinoline-3-carboxylate
CID 54773005
ethyl 6,8-dimethyl-4-[methyl(pyrazin-2-ylmethyl)amino]quinoline-3-carboxylate
CID 133433854
1-(3-ethoxycarbonyl-6-fluoro-8-methylquinolin-4-yl)piperidine-4-carboxylic acid
CID 122047475
ethyl 6-fluoro-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-8-methylquinoline-3-carboxylate
CID 133410718
ethyl 6-fluoro-4-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-8-methylquinoline-3-carboxylate
CID 133486042
ethyl 4-(4-but-3-ynylpiperazin-1-yl)-6-fluoro-8-methylquinoline-3-carboxylate
CID 133453618
ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate
CID 3352918
ethyl 4-(dimethylamino)-7-fluoro-8-(2,3,5-trifluorophenyl)quinoline-3-carboxylate
CID 156881974
ethyl 3-carbamoyl-4-chloro-8-methylquinoline-6-carboxylate
CID 58946108
ethyl 6,8-difluoro-4-(propylamino)quinoline-3-carboxylate
CID 63486440
ethyl 8-chloro-4-(ethylamino)-6-fluoroquinoline-3-carboxylate
CID 63486784
4-bromo-6-fluoro-8-methylquinoline-3-carboxylic acid
CID 97033444

Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluoro-4-[2-hydroxyethyl(methyl)amino]-8-methylquinoline-3-carboxylate?
The IUPAC name of ethyl 6-fluoro-4-[2-hydroxyethyl(methyl)amino]-8-methylquinoline-3-carboxylate (CID 133381447) is ethyl 6-fluoro-4-[2-hydroxyethyl(methyl)amino]-8-methylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-fluoro-4-[2-hydroxyethyl(methyl)amino]-8-methylquinoline-3-carboxylate?
The canonical SMILES for ethyl 6-fluoro-4-[2-hydroxyethyl(methyl)amino]-8-methylquinoline-3-carboxylate is CCOC(=O)c1cnc2c(C)cc(F)cc2c1N(C)CCO.
What is the InChIKey of ethyl 6-fluoro-4-[2-hydroxyethyl(methyl)amino]-8-methylquinoline-3-carboxylate?
The InChIKey is JKLDWCBAVSXTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-4-22-16(21)13-9-18-14-10(2)7-11(17)8-12(14)15(13)19(3)5-6-20/h7-9,20H,4-6H2,1-3H3.
What are the key properties of ethyl 6-fluoro-4-[2-hydroxyethyl(methyl)amino]-8-methylquinoline-3-carboxylate?
ethyl 6-fluoro-4-[2-hydroxyethyl(methyl)amino]-8-methylquinoline-3-carboxylate has a molecular weight of 306.34 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-fluoro-4-[2-hydroxyethyl(methyl)amino]-8-methylquinoline-3-carboxylate is sourced from PubChem (CID 133381447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).