6-chloro-8-[[[2-(3-fluorophenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid

C19H14ClFN2O4 — CID 71077263

IUPAC6-chloro-8-[[[2-(3-fluorophenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(Cc1cccc(F)c1)NCc1cc(Cl)cc2cc(C(=O)O)c(=O)[nH]c12
InChIInChI=1S/C19H14ClFN2O4/c20-13-6-11-8-15(19(26)27)18(25)23-17(11)12(7-13)9-22-16(24)5-10-2-1-3-14(21)4-10/h1-4,6-8H,5,9H2,(H,22,24)(H,23,25)(H,26,27)
InChIKeySKTBDRXBOLNWRE-UHFFFAOYSA-N
MW388.78 g/mol
LogP2.88
Rot. Bonds5

About 6-chloro-8-[[[2-(3-fluorophenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid

6-chloro-8-[[[2-(3-fluorophenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 71077263) has the molecular formula C19H14ClFN2O4 and a molecular weight of 388.78 g/mol. Its IUPAC name is 6-chloro-8-[[[2-(3-fluorophenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-8-[[[2-(3-fluorophenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid
PubChem CID71077263
Molecular FormulaC19H14ClFN2O4
Molecular Weight388.78 g/mol
Exact Mass388.06
IUPAC Name6-chloro-8-[[[2-(3-fluorophenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(Cc1cccc(F)c1)NCc1cc(Cl)cc2cc(C(=O)O)c(=O)[nH]c12
InChIInChI=1S/C19H14ClFN2O4/c20-13-6-11-8-15(19(26)27)18(25)23-17(11)12(7-13)9-22-16(24)5-10-2-1-3-14(21)4-10/h1-4,6-8H,5,9H2,(H,22,24)(H,23,25)(H,26,27)
InChIKeySKTBDRXBOLNWRE-UHFFFAOYSA-N
XLogP2.88
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.78
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[[[2-(3-fluorophenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 6-chloro-8-[[[2-(3-fluorophenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid (CID 71077263) is 6-chloro-8-[[[2-(3-fluorophenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 6-chloro-8-[[[2-(3-fluorophenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 6-chloro-8-[[[2-(3-fluorophenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid is O=C(Cc1cccc(F)c1)NCc1cc(Cl)cc2cc(C(=O)O)c(=O)[nH]c12.
What is the InChIKey of 6-chloro-8-[[[2-(3-fluorophenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is SKTBDRXBOLNWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2O4/c20-13-6-11-8-15(19(26)27)18(25)23-17(11)12(7-13)9-22-16(24)5-10-2-1-3-14(21)4-10/h1-4,6-8H,5,9H2,(H,22,24)(H,23,25)(H,26,27).
What are the key properties of 6-chloro-8-[[[2-(3-fluorophenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid?
6-chloro-8-[[[2-(3-fluorophenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 388.78 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-[[[2-(3-fluorophenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 71077263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).