6-fluoro-N-(4-morpholin-4-ylbutyl)-4-oxo-1H-quinoline-2-carboxamide;methanesulfonic acid

C19H26FN3O6S — CID 163332628

IUPAC6-fluoro-N-(4-morpholin-4-ylbutyl)-4-oxo-1H-quinoline-2-carboxamide;methanesulfonic acid
SMILESCS(=O)(=O)O.O=C(NCCCCN1CCOCC1)c1cc(=O)c2cc(F)ccc2[nH]1
InChIInChI=1S/C18H22FN3O3.CH4O3S/c19-13-3-4-15-14(11-13)17(23)12-16(21-15)18(24)20-5-1-2-6-22-7-9-25-10-8-22;1-5(2,3)4/h3-4,11-12H,1-2,5-10H2,(H,20,24)(H,21,23);1H3,(H,2,3,4)
InChIKeyLDYDHHLUYGUSBH-UHFFFAOYSA-N
MW443.50 g/mol
LogP1.01
Rot. Bonds6

About 6-fluoro-N-(4-morpholin-4-ylbutyl)-4-oxo-1H-quinoline-2-carboxamide;methanesulfonic acid

6-fluoro-N-(4-morpholin-4-ylbutyl)-4-oxo-1H-quinoline-2-carboxamide;methanesulfonic acid (PubChem CID 163332628) has the molecular formula C19H26FN3O6S and a molecular weight of 443.50 g/mol. Its IUPAC name is 6-fluoro-N-(4-morpholin-4-ylbutyl)-4-oxo-1H-quinoline-2-carboxamide;methanesulfonic acid.

Molecular Properties

Compound Name6-fluoro-N-(4-morpholin-4-ylbutyl)-4-oxo-1H-quinoline-2-carboxamide;methanesulfonic acid
PubChem CID163332628
Molecular FormulaC19H26FN3O6S
Molecular Weight443.50 g/mol
Exact Mass443.15
IUPAC Name6-fluoro-N-(4-morpholin-4-ylbutyl)-4-oxo-1H-quinoline-2-carboxamide;methanesulfonic acid
SMILESCS(=O)(=O)O.O=C(NCCCCN1CCOCC1)c1cc(=O)c2cc(F)ccc2[nH]1
InChIInChI=1S/C18H22FN3O3.CH4O3S/c19-13-3-4-15-14(11-13)17(23)12-16(21-15)18(24)20-5-1-2-6-22-7-9-25-10-8-22;1-5(2,3)4/h3-4,11-12H,1-2,5-10H2,(H,20,24)(H,21,23);1H3,(H,2,3,4)
InChIKeyLDYDHHLUYGUSBH-UHFFFAOYSA-N
XLogP1.01
TPSA128.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 6-fluoro-N-(4-morpholin-4-ylbutyl)-4-oxo-1H-quinoline-2-carboxamide;methanesulfonic acid with MolForge

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Launch Full Analysis

Related Compounds

(Z)-but-2-enedioic acid;N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-2-carboxamide
CID 51057245
4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 115745095
N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107261436
5-methoxy-N-(3-morpholin-4-ylpropyl)-4-oxo-1H-pyridine-2-carboxamide
CID 125431560
4-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1H-pyrimidine-6-carboxamide
CID 110332223
4-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenoxy]-N-(3-morpholin-4-ylpropyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 58272792
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 111972570
4-fluoro-N-(3-morpholin-4-ylpropyl)-2-nitrobenzamide
CID 21240823
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111972569
2-methyl-N-(3-morpholin-4-ylpropyl)-1H-imidazole-5-carboxamide
CID 110467560
2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide
CID 110849673
5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1H-indole-2-carboxamide
CID 46555928

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4-morpholin-4-ylbutyl)-4-oxo-1H-quinoline-2-carboxamide;methanesulfonic acid?
The IUPAC name of 6-fluoro-N-(4-morpholin-4-ylbutyl)-4-oxo-1H-quinoline-2-carboxamide;methanesulfonic acid (CID 163332628) is 6-fluoro-N-(4-morpholin-4-ylbutyl)-4-oxo-1H-quinoline-2-carboxamide;methanesulfonic acid.
What is the SMILES notation for 6-fluoro-N-(4-morpholin-4-ylbutyl)-4-oxo-1H-quinoline-2-carboxamide;methanesulfonic acid?
The canonical SMILES for 6-fluoro-N-(4-morpholin-4-ylbutyl)-4-oxo-1H-quinoline-2-carboxamide;methanesulfonic acid is CS(=O)(=O)O.O=C(NCCCCN1CCOCC1)c1cc(=O)c2cc(F)ccc2[nH]1.
What is the InChIKey of 6-fluoro-N-(4-morpholin-4-ylbutyl)-4-oxo-1H-quinoline-2-carboxamide;methanesulfonic acid?
The InChIKey is LDYDHHLUYGUSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3.CH4O3S/c19-13-3-4-15-14(11-13)17(23)12-16(21-15)18(24)20-5-1-2-6-22-7-9-25-10-8-22;1-5(2,3)4/h3-4,11-12H,1-2,5-10H2,(H,20,24)(H,21,23);1H3,(H,2,3,4).
What are the key properties of 6-fluoro-N-(4-morpholin-4-ylbutyl)-4-oxo-1H-quinoline-2-carboxamide;methanesulfonic acid?
6-fluoro-N-(4-morpholin-4-ylbutyl)-4-oxo-1H-quinoline-2-carboxamide;methanesulfonic acid has a molecular weight of 443.50 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(4-morpholin-4-ylbutyl)-4-oxo-1H-quinoline-2-carboxamide;methanesulfonic acid is sourced from PubChem (CID 163332628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).