1-(3-ethoxycarbonyl-6-fluoro-8-methylquinolin-4-yl)piperidine-4-carboxylic acid

C19H21FN2O4 — CID 122047475

IUPAC1-(3-ethoxycarbonyl-6-fluoro-8-methylquinolin-4-yl)piperidine-4-carboxylic acid
SMILESCCOC(=O)c1cnc2c(C)cc(F)cc2c1N1CCC(C(=O)O)CC1
InChIInChI=1S/C19H21FN2O4/c1-3-26-19(25)15-10-21-16-11(2)8-13(20)9-14(16)17(15)22-6-4-12(5-7-22)18(23)24/h8-10,12H,3-7H2,1-2H3,(H,23,24)
InChIKeyQTMJMHYOTMRPHJ-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.16
Rot. Bonds4

About 1-(3-ethoxycarbonyl-6-fluoro-8-methylquinolin-4-yl)piperidine-4-carboxylic acid

1-(3-ethoxycarbonyl-6-fluoro-8-methylquinolin-4-yl)piperidine-4-carboxylic acid (PubChem CID 122047475) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is 1-(3-ethoxycarbonyl-6-fluoro-8-methylquinolin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethoxycarbonyl-6-fluoro-8-methylquinolin-4-yl)piperidine-4-carboxylic acid
PubChem CID122047475
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Name1-(3-ethoxycarbonyl-6-fluoro-8-methylquinolin-4-yl)piperidine-4-carboxylic acid
SMILESCCOC(=O)c1cnc2c(C)cc(F)cc2c1N1CCC(C(=O)O)CC1
InChIInChI=1S/C19H21FN2O4/c1-3-26-19(25)15-10-21-16-11(2)8-13(20)9-14(16)17(15)22-6-4-12(5-7-22)18(23)24/h8-10,12H,3-7H2,1-2H3,(H,23,24)
InChIKeyQTMJMHYOTMRPHJ-UHFFFAOYSA-N
XLogP3.16
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethoxycarbonyl-6,8-dimethylquinolin-4-yl)piperidine-4-carboxylic acid
CID 122047467
1-(3-ethoxycarbonyl-6,8-dimethylquinolin-4-yl)pyrrolidine-3-carboxylic acid
CID 122048537
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 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate
CID 135272181
ethyl 6-fluoro-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-8-methylquinoline-3-carboxylate
CID 133410718
ethyl 4-amino-6-fluoro-8-methylquinoline-3-carboxylate
CID 54773005
1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid
CID 122047501
ethyl 6-fluoro-4-[4-(1-hydroxyethyl)piperidin-1-yl]quinoline-3-carboxylate
CID 133388780
ethyl 6-fluoro-4-[2-hydroxyethyl(methyl)amino]-8-methylquinoline-3-carboxylate
CID 133381447
ethyl 8-bromo-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate
CID 163201437
2-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]acetamide
CID 133318098

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycarbonyl-6-fluoro-8-methylquinolin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-ethoxycarbonyl-6-fluoro-8-methylquinolin-4-yl)piperidine-4-carboxylic acid (CID 122047475) is 1-(3-ethoxycarbonyl-6-fluoro-8-methylquinolin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-ethoxycarbonyl-6-fluoro-8-methylquinolin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-ethoxycarbonyl-6-fluoro-8-methylquinolin-4-yl)piperidine-4-carboxylic acid is CCOC(=O)c1cnc2c(C)cc(F)cc2c1N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(3-ethoxycarbonyl-6-fluoro-8-methylquinolin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is QTMJMHYOTMRPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-3-26-19(25)15-10-21-16-11(2)8-13(20)9-14(16)17(15)22-6-4-12(5-7-22)18(23)24/h8-10,12H,3-7H2,1-2H3,(H,23,24).
What are the key properties of 1-(3-ethoxycarbonyl-6-fluoro-8-methylquinolin-4-yl)piperidine-4-carboxylic acid?
1-(3-ethoxycarbonyl-6-fluoro-8-methylquinolin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 360.39 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycarbonyl-6-fluoro-8-methylquinolin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 122047475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).