4-ethyl-5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid

C19H23FN2O4 — CID 89466453

IUPAC4-ethyl-5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid
SMILESCCc1c(C(=O)O)c(C(C)NC(=O)OC(C)(C)C)nc2cccc(F)c12
InChIInChI=1S/C19H23FN2O4/c1-6-11-14-12(20)8-7-9-13(14)22-16(15(11)17(23)24)10(2)21-18(25)26-19(3,4)5/h7-10H,6H2,1-5H3,(H,21,25)(H,23,24)
InChIKeyKXWAMZJNOIJXGJ-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.22
Rot. Bonds4

About 4-ethyl-5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid

4-ethyl-5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid (PubChem CID 89466453) has the molecular formula C19H23FN2O4 and a molecular weight of 362.40 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid
PubChem CID89466453
Molecular FormulaC19H23FN2O4
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name4-ethyl-5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid
SMILESCCc1c(C(=O)O)c(C(C)NC(=O)OC(C)(C)C)nc2cccc(F)c12
InChIInChI=1S/C19H23FN2O4/c1-6-11-14-12(20)8-7-9-13(14)22-16(15(11)17(23)24)10(2)21-18(25)26-19(3,4)5/h7-10H,6H2,1-5H3,(H,21,25)(H,23,24)
InChIKeyKXWAMZJNOIJXGJ-UHFFFAOYSA-N
XLogP4.22
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid with MolForge

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Related Compounds

5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid
CID 67124246
tert-butyl N-[(1S)-1-(5-fluoro-4-oxo-3,1-benzoxazin-2-yl)ethyl]carbamate
CID 90063515
tert-butyl N-(1-phenanthridin-6-ylethyl)carbamate
CID 141472588
tert-butyl N-[(1S)-1-deuterio-1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl]carbamate
CID 140814473
ethyl 8-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylate
CID 67124202
tert-butyl N-[1-(2-ethyl-3,5-difluorophenyl)ethyl]carbamate
CID 118337488
tert-butyl N-[1-(2-bromo-6-fluorophenyl)ethyl]carbamate
CID 155887563
tert-butyl N-[(1S)-1-(2-bromo-6-fluorophenyl)ethyl]carbamate
CID 162342858
tert-butyl N-[(1S)-1-[3-(1,3-dihydroisoindol-2-yl)-5-fluoro-4-oxoquinazolin-2-yl]propyl]carbamate
CID 141459076
tert-butyl N-[1-(5,8-difluoro-4-oxo-3-phenylquinazolin-2-yl)ethyl]carbamate
CID 90232844
tert-butyl N-[(1S)-1-[4-(ethylcarbamoyl)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate
CID 59634688
tert-butyl N-[1-(7-chloro-6-fluoro-1-phenylbenzimidazol-2-yl)ethyl]carbamate
CID 77456126

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid?
The IUPAC name of 4-ethyl-5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid (CID 89466453) is 4-ethyl-5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid.
What is the SMILES notation for 4-ethyl-5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid?
The canonical SMILES for 4-ethyl-5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid is CCc1c(C(=O)O)c(C(C)NC(=O)OC(C)(C)C)nc2cccc(F)c12.
What is the InChIKey of 4-ethyl-5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid?
The InChIKey is KXWAMZJNOIJXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4/c1-6-11-14-12(20)8-7-9-13(14)22-16(15(11)17(23)24)10(2)21-18(25)26-19(3,4)5/h7-10H,6H2,1-5H3,(H,21,25)(H,23,24).
What are the key properties of 4-ethyl-5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid?
4-ethyl-5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid has a molecular weight of 362.40 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid is sourced from PubChem (CID 89466453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).