5-amino-6-fluoro-8-methoxy-4-oxo-7-(3-pyridin-2-ylpropylamino)-1H-quinoline-3-carboxylic acid

C19H19FN4O4 — CID 161190568

IUPAC5-amino-6-fluoro-8-methoxy-4-oxo-7-(3-pyridin-2-ylpropylamino)-1H-quinoline-3-carboxylic acid
SMILESCOc1c(NCCCc2ccccn2)c(F)c(N)c2c(=O)c(C(=O)O)c[nH]c12
InChIInChI=1S/C19H19FN4O4/c1-28-18-15-12(17(25)11(9-24-15)19(26)27)14(21)13(20)16(18)23-8-4-6-10-5-2-3-7-22-10/h2-3,5,7,9,23H,4,6,8,21H2,1H3,(H,24,25)(H,26,27)
InChIKeyFEKQDAGFXBKDGV-UHFFFAOYSA-N
MW386.38 g/mol
LogP2.40
Rot. Bonds7

About 5-amino-6-fluoro-8-methoxy-4-oxo-7-(3-pyridin-2-ylpropylamino)-1H-quinoline-3-carboxylic acid

5-amino-6-fluoro-8-methoxy-4-oxo-7-(3-pyridin-2-ylpropylamino)-1H-quinoline-3-carboxylic acid (PubChem CID 161190568) has the molecular formula C19H19FN4O4 and a molecular weight of 386.38 g/mol. Its IUPAC name is 5-amino-6-fluoro-8-methoxy-4-oxo-7-(3-pyridin-2-ylpropylamino)-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-fluoro-8-methoxy-4-oxo-7-(3-pyridin-2-ylpropylamino)-1H-quinoline-3-carboxylic acid
PubChem CID161190568
Molecular FormulaC19H19FN4O4
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name5-amino-6-fluoro-8-methoxy-4-oxo-7-(3-pyridin-2-ylpropylamino)-1H-quinoline-3-carboxylic acid
SMILESCOc1c(NCCCc2ccccn2)c(F)c(N)c2c(=O)c(C(=O)O)c[nH]c12
InChIInChI=1S/C19H19FN4O4/c1-28-18-15-12(17(25)11(9-24-15)19(26)27)14(21)13(20)16(18)23-8-4-6-10-5-2-3-7-22-10/h2-3,5,7,9,23H,4,6,8,21H2,1H3,(H,24,25)(H,26,27)
InChIKeyFEKQDAGFXBKDGV-UHFFFAOYSA-N
XLogP2.40
TPSA130.33 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 52.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-6-fluoro-8-methoxy-4-oxo-7-(3-pyridin-2-ylpropylamino)-1H-quinoline-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-pyridin-2-ylpropylamino)-1H-quinolin-4-one
CID 161436075
3-acetyl-5-amino-1-cyclopropyl-6-fluoro-8-methoxy-2-methyl-7-(3-pyridin-2-ylpropylamino)quinolin-4-one
CID 161436079
6-amino-7-fluoro-4-oxo-8-(3-pyridin-2-ylpropylamino)spiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxylic acid
CID 25253983
6-amino-7-fluoro-4-oxo-8-(3-pyridin-2-ylpropylamino)spiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-12,1'-cyclobutane]-3-carboxylic acid
CID 58134707
[1-(6-amino-3-carboxy-2-methoxyphenyl)-3-pyridin-2-ylpropylidene]azanium
CID 142835883
5-amino-6,8-difluoro-1-(2-phenylethyl)-7-(3-pyridin-2-ylpropylamino)quinolin-4-one
CID 159583302
(2S)-8-amino-7-fluoro-2-methyl-10-oxo-6-[3-(pyridine-2-carbonylamino)propylamino]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
CID 59003010
3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-phenylpropylamino)-1-propan-2-ylquinolin-4-one;5-amino-1-cyclopentyl-6,8-difluoro-7-(3-pyridin-2-ylpropylamino)quinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-7-(3-imidazol-1-ylpropylamino)-8-methoxy-3-methylquinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-8-methoxy-3-methyl-7-(3-phenylpropylamino)quinolin-4-one;5-amino-1-cyclopropyl-6-fluoro-7-(3-indol-1-ylpropylamino)-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 159028882
2-amino-5-(2-pyridin-2-ylethylamino)benzoic acid
CID 60989382
methyl 2,3-difluoro-4-(2-pyridin-2-ylethylamino)benzoate
CID 79834307
5-methoxycarbonyl-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxylic acid
CID 75464774
4-amino-2-methoxy-3-(3-pyridin-2-ylpropanimidoyl)benzoic acid
CID 142835884

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-fluoro-8-methoxy-4-oxo-7-(3-pyridin-2-ylpropylamino)-1H-quinoline-3-carboxylic acid?
The IUPAC name of 5-amino-6-fluoro-8-methoxy-4-oxo-7-(3-pyridin-2-ylpropylamino)-1H-quinoline-3-carboxylic acid (CID 161190568) is 5-amino-6-fluoro-8-methoxy-4-oxo-7-(3-pyridin-2-ylpropylamino)-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-fluoro-8-methoxy-4-oxo-7-(3-pyridin-2-ylpropylamino)-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 5-amino-6-fluoro-8-methoxy-4-oxo-7-(3-pyridin-2-ylpropylamino)-1H-quinoline-3-carboxylic acid is COc1c(NCCCc2ccccn2)c(F)c(N)c2c(=O)c(C(=O)O)c[nH]c12.
What is the InChIKey of 5-amino-6-fluoro-8-methoxy-4-oxo-7-(3-pyridin-2-ylpropylamino)-1H-quinoline-3-carboxylic acid?
The InChIKey is FEKQDAGFXBKDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O4/c1-28-18-15-12(17(25)11(9-24-15)19(26)27)14(21)13(20)16(18)23-8-4-6-10-5-2-3-7-22-10/h2-3,5,7,9,23H,4,6,8,21H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 5-amino-6-fluoro-8-methoxy-4-oxo-7-(3-pyridin-2-ylpropylamino)-1H-quinoline-3-carboxylic acid?
5-amino-6-fluoro-8-methoxy-4-oxo-7-(3-pyridin-2-ylpropylamino)-1H-quinoline-3-carboxylic acid has a molecular weight of 386.38 g/mol, XLogP of 2.40, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-fluoro-8-methoxy-4-oxo-7-(3-pyridin-2-ylpropylamino)-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 161190568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).