6-fluoro-8-(methylamino)-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide

C24H26FN5O4 — CID 142435842

IUPAC6-fluoro-8-(methylamino)-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESCNc1cc(F)cc2cc(C(=O)Nc3ccc(C(=O)NCCN4CCOCC4)cc3)c(=O)[nH]c12
InChIInChI=1S/C24H26FN5O4/c1-26-20-14-17(25)12-16-13-19(24(33)29-21(16)20)23(32)28-18-4-2-15(3-5-18)22(31)27-6-7-30-8-10-34-11-9-30/h2-5,12-14,26H,6-11H2,1H3,(H,27,31)(H,28,32)(H,29,33)
InChIKeyUMTBCDLZQQIIBT-UHFFFAOYSA-N
MW467.50 g/mol
LogP2.02
Rot. Bonds7

About 6-fluoro-8-(methylamino)-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide

6-fluoro-8-(methylamino)-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 142435842) has the molecular formula C24H26FN5O4 and a molecular weight of 467.50 g/mol. Its IUPAC name is 6-fluoro-8-(methylamino)-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-8-(methylamino)-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide
PubChem CID142435842
Molecular FormulaC24H26FN5O4
Molecular Weight467.50 g/mol
Exact Mass467.20
IUPAC Name6-fluoro-8-(methylamino)-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESCNc1cc(F)cc2cc(C(=O)Nc3ccc(C(=O)NCCN4CCOCC4)cc3)c(=O)[nH]c12
InChIInChI=1S/C24H26FN5O4/c1-26-20-14-17(25)12-16-13-19(24(33)29-21(16)20)23(32)28-18-4-2-15(3-5-18)22(31)27-6-7-30-8-10-34-11-9-30/h2-5,12-14,26H,6-11H2,1H3,(H,27,31)(H,28,32)(H,29,33)
InChIKeyUMTBCDLZQQIIBT-UHFFFAOYSA-N
XLogP2.02
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-8-(methylamino)-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

2-[(2-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 24824960
N-[(2S)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide
CID 53900460
4-[4-[3-(5-amino-7-fluoro-1-oxo-2H-isoquinolin-3-yl)propyl]piperazin-1-yl]benzamide
CID 126483567
4-[4-[3-(5-amino-7-fluoro-1-oxo-2H-isoquinolin-3-yl)propyl]piperazin-1-yl]-N-methylbenzamide
CID 126483601
N-[4-(dimethylsulfamoylcarbamoyl)phenyl]-6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carboxamide
CID 146313952
N-(2-morpholin-4-ylethyl)-4-(pentanoylamino)benzamide
CID 2212314
6-Fluoro-8-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-2-carboxylic acid (4-morpholin-4-ylphenyl)amide
CID 23533306
3-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1086047
N-(2-morpholinoethyl)-4-(3-(4-(trifluoromethyl)phenyl)ureido)benzamide
CID 46889057
2-benzamido-N-(3-morpholin-4-ylpropyl)benzamide
CID 2812678
2-[(4-fluorobenzoyl)amino]-N-(3-morpholinopropyl)benzamide
CID 2812996
N-(2,4-dimorpholin-4-ylphenyl)-4-fluorobenzamide
CID 4824097

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-(methylamino)-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-fluoro-8-(methylamino)-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide (CID 142435842) is 6-fluoro-8-(methylamino)-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-8-(methylamino)-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-8-(methylamino)-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide is CNc1cc(F)cc2cc(C(=O)Nc3ccc(C(=O)NCCN4CCOCC4)cc3)c(=O)[nH]c12.
What is the InChIKey of 6-fluoro-8-(methylamino)-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is UMTBCDLZQQIIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O4/c1-26-20-14-17(25)12-16-13-19(24(33)29-21(16)20)23(32)28-18-4-2-15(3-5-18)22(31)27-6-7-30-8-10-34-11-9-30/h2-5,12-14,26H,6-11H2,1H3,(H,27,31)(H,28,32)(H,29,33).
What are the key properties of 6-fluoro-8-(methylamino)-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide?
6-fluoro-8-(methylamino)-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 467.50 g/mol, XLogP of 2.02, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-(methylamino)-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 142435842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).