6-fluoro-2-(methylamino)quinoline-3-carboxamide;molecular hydrogen

C11H12FN3O — CID 169264351

IUPAC6-fluoro-2-(methylamino)quinoline-3-carboxamide;molecular hydrogen
SMILESCNc1nc2ccc(F)cc2cc1C(N)=O.[H][H]
InChIInChI=1S/C11H10FN3O.H2/c1-14-11-8(10(13)16)5-6-4-7(12)2-3-9(6)15-11;/h2-5H,1H3,(H2,13,16)(H,14,15);1H
InChIKeyCBMCWHLBCCSWMB-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.76
Rot. Bonds2

About 6-fluoro-2-(methylamino)quinoline-3-carboxamide;molecular hydrogen

6-fluoro-2-(methylamino)quinoline-3-carboxamide;molecular hydrogen (PubChem CID 169264351) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 6-fluoro-2-(methylamino)quinoline-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name6-fluoro-2-(methylamino)quinoline-3-carboxamide;molecular hydrogen
PubChem CID169264351
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name6-fluoro-2-(methylamino)quinoline-3-carboxamide;molecular hydrogen
SMILESCNc1nc2ccc(F)cc2cc1C(N)=O.[H][H]
InChIInChI=1S/C11H10FN3O.H2/c1-14-11-8(10(13)16)5-6-4-7(12)2-3-9(6)15-11;/h2-5H,1H3,(H2,13,16)(H,14,15);1H
InChIKeyCBMCWHLBCCSWMB-UHFFFAOYSA-N
XLogP1.76
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-2-methylquinoline-3-carboxamide
CID 945082
diethyl 6-fluoroquinoline-2,3-dicarboxylate
CID 13351927
N'-benzoyl-6-fluoro-2-methylquinoline-3-carbohydrazide
CID 4732209
1-(6-fluoro-3-hydroxyquinolin-2-yl)ethanone
CID 59634613
6-(2,5-difluorophenyl)-2-(methylamino)pyridine-3-carboxylic acid
CID 82122308
3-(methylamino)pyridazine-4-carboxamide
CID 66829244
2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide
CID 110238096
2,4-difluorobenzamide;dihydrochloride
CID 22032026
6-fluoro-2-methylquinazoline-4-carboxamide
CID 171383958
2-ethenyl-4-fluorobenzamide
CID 122232501
3-(methylamino)-6-oxo-1H-pyridazine-4-carboxamide
CID 137400064
3-ethyl-6-fluoroquinolin-2-amine
CID 17039689

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(methylamino)quinoline-3-carboxamide;molecular hydrogen?
The IUPAC name of 6-fluoro-2-(methylamino)quinoline-3-carboxamide;molecular hydrogen (CID 169264351) is 6-fluoro-2-(methylamino)quinoline-3-carboxamide;molecular hydrogen.
What is the SMILES notation for 6-fluoro-2-(methylamino)quinoline-3-carboxamide;molecular hydrogen?
The canonical SMILES for 6-fluoro-2-(methylamino)quinoline-3-carboxamide;molecular hydrogen is CNc1nc2ccc(F)cc2cc1C(N)=O.[H][H].
What is the InChIKey of 6-fluoro-2-(methylamino)quinoline-3-carboxamide;molecular hydrogen?
The InChIKey is CBMCWHLBCCSWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O.H2/c1-14-11-8(10(13)16)5-6-4-7(12)2-3-9(6)15-11;/h2-5H,1H3,(H2,13,16)(H,14,15);1H.
What are the key properties of 6-fluoro-2-(methylamino)quinoline-3-carboxamide;molecular hydrogen?
6-fluoro-2-(methylamino)quinoline-3-carboxamide;molecular hydrogen has a molecular weight of 221.24 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(methylamino)quinoline-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 169264351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).