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

C18H14FN3O5 — CID 146313907

IUPAC4-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]-2-hydroxybenzoic acid
SMILESCNc1cc(F)cc2cc(C(=O)Nc3ccc(C(=O)O)c(O)c3)c(=O)[nH]c12
InChIInChI=1S/C18H14FN3O5/c1-20-13-6-9(19)4-8-5-12(17(25)22-15(8)13)16(24)21-10-2-3-11(18(26)27)14(23)7-10/h2-7,20,23H,1H3,(H,21,24)(H,22,25)(H,26,27)
InChIKeyKVRPVRSOABUSHO-UHFFFAOYSA-N
MW371.32 g/mol
LogP2.37
Rot. Bonds4

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

4-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]-2-hydroxybenzoic acid (PubChem CID 146313907) has the molecular formula C18H14FN3O5 and a molecular weight of 371.32 g/mol. Its IUPAC name is 4-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]-2-hydroxybenzoic acid
PubChem CID146313907
Molecular FormulaC18H14FN3O5
Molecular Weight371.32 g/mol
Exact Mass371.09
IUPAC Name4-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]-2-hydroxybenzoic acid
SMILESCNc1cc(F)cc2cc(C(=O)Nc3ccc(C(=O)O)c(O)c3)c(=O)[nH]c12
InChIInChI=1S/C18H14FN3O5/c1-20-13-6-9(19)4-8-5-12(17(25)22-15(8)13)16(24)21-10-2-3-11(18(26)27)14(23)7-10/h2-7,20,23H,1H3,(H,21,24)(H,22,25)(H,26,27)
InChIKeyKVRPVRSOABUSHO-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

Analyze 4-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]-2-hydroxybenzoic acid with MolForge

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Related Compounds

4-Acetamidosalicylic acid
CID 65509
4-[[6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid
CID 146313860
4-(Benzoylamino)-2-hydroxybenzoic acid
CID 10718
Type II topoisomerase inhibitor 1
CID 146027003
4-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]-3-[[methyl(pentyl)amino]methyl]benzoic acid
CID 146313955
4-[(5-Fluoro-2-hydroxyphenyl)methylamino]-2-hydroxybenzoic acid
CID 141230691
4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid
CID 146313868
4-[[6-fluoro-8-(methylamino)-4-[3-(methylamino)propyl]-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146314000
4-[[6-fluoro-8-(methylamino)-4-[2-(methylamino)ethyl]-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146314019
4-({3-[(5Z)-5-(4-fluorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoyl}amino)-2-hydroxybenzoic acid
CID 6236537
Salicylic acid, 4-(3-(benzylamino)propionamido)-, ethyl ester, monohydrochloride
CID 203141
Salicylic acid, 4-(3-(cyclohexylamino)propionamido)-, ethyl ester, monohydrochloride
CID 203143

Frequently Asked Questions

What is the IUPAC name of 4-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]-2-hydroxybenzoic acid (CID 146313907) is 4-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]-2-hydroxybenzoic acid is CNc1cc(F)cc2cc(C(=O)Nc3ccc(C(=O)O)c(O)c3)c(=O)[nH]c12.
What is the InChIKey of 4-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]-2-hydroxybenzoic acid?
The InChIKey is KVRPVRSOABUSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O5/c1-20-13-6-9(19)4-8-5-12(17(25)22-15(8)13)16(24)21-10-2-3-11(18(26)27)14(23)7-10/h2-7,20,23H,1H3,(H,21,24)(H,22,25)(H,26,27).
What are the key properties of 4-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]-2-hydroxybenzoic acid?
4-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]-2-hydroxybenzoic 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-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 146313907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).