4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid

C18H14FN3O5 — CID 146313868

IUPAC4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid
SMILESCNc1cc(F)cc2c(O)c(C(=O)Nc3ccc(C(=O)O)cc3)c(=O)[nH]c12
InChIInChI=1S/C18H14FN3O5/c1-20-12-7-9(19)6-11-14(12)22-17(25)13(15(11)23)16(24)21-10-4-2-8(3-5-10)18(26)27/h2-7,20H,1H3,(H,21,24)(H,26,27)(H2,22,23,25)
InChIKeyACSDSFPAGHERCC-UHFFFAOYSA-N
MW371.32 g/mol
LogP2.37
Rot. Bonds4

About 4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid

4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid (PubChem CID 146313868) has the molecular formula C18H14FN3O5 and a molecular weight of 371.32 g/mol. Its IUPAC name is 4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid
PubChem CID146313868
Molecular FormulaC18H14FN3O5
Molecular Weight371.32 g/mol
Exact Mass371.09
IUPAC Name4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid
SMILESCNc1cc(F)cc2c(O)c(C(=O)Nc3ccc(C(=O)O)cc3)c(=O)[nH]c12
InChIInChI=1S/C18H14FN3O5/c1-20-12-7-9(19)6-11-14(12)22-17(25)13(15(11)23)16(24)21-10-4-2-8(3-5-10)18(26)27/h2-7,20H,1H3,(H,21,24)(H,26,27)(H2,22,23,25)
InChIKeyACSDSFPAGHERCC-UHFFFAOYSA-N
XLogP2.37
TPSA131.52 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 52.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid?
The IUPAC name of 4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid (CID 146313868) is 4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid.
What is the SMILES notation for 4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid?
The canonical SMILES for 4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid is CNc1cc(F)cc2c(O)c(C(=O)Nc3ccc(C(=O)O)cc3)c(=O)[nH]c12.
What is the InChIKey of 4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid?
The InChIKey is ACSDSFPAGHERCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O5/c1-20-12-7-9(19)6-11-14(12)22-17(25)13(15(11)23)16(24)21-10-4-2-8(3-5-10)18(26)27/h2-7,20H,1H3,(H,21,24)(H,26,27)(H2,22,23,25).
What are the key properties of 4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid?
4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid has a molecular weight of 371.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid is sourced from PubChem (CID 146313868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).