6-fluoro-2-methyl-N'-(pyridine-3-carbonyl)quinoline-3-carbohydrazide

C17H13FN4O2 — CID 4732228

IUPAC6-fluoro-2-methyl-N'-(pyridine-3-carbonyl)quinoline-3-carbohydrazide
SMILESCc1nc2ccc(F)cc2cc1C(=O)NNC(=O)c1cccnc1
InChIInChI=1S/C17H13FN4O2/c1-10-14(8-12-7-13(18)4-5-15(12)20-10)17(24)22-21-16(23)11-3-2-6-19-9-11/h2-9H,1H3,(H,21,23)(H,22,24)
InChIKeyQALBCFJDUAPIBT-UHFFFAOYSA-N
MW324.32 g/mol
LogP2.15
Rot. Bonds2

About 6-fluoro-2-methyl-N'-(pyridine-3-carbonyl)quinoline-3-carbohydrazide

6-fluoro-2-methyl-N'-(pyridine-3-carbonyl)quinoline-3-carbohydrazide (PubChem CID 4732228) has the molecular formula C17H13FN4O2 and a molecular weight of 324.32 g/mol. Its IUPAC name is 6-fluoro-2-methyl-N'-(pyridine-3-carbonyl)quinoline-3-carbohydrazide.

Molecular Properties

Compound Name6-fluoro-2-methyl-N'-(pyridine-3-carbonyl)quinoline-3-carbohydrazide
PubChem CID4732228
Molecular FormulaC17H13FN4O2
Molecular Weight324.32 g/mol
Exact Mass324.10
IUPAC Name6-fluoro-2-methyl-N'-(pyridine-3-carbonyl)quinoline-3-carbohydrazide
SMILESCc1nc2ccc(F)cc2cc1C(=O)NNC(=O)c1cccnc1
InChIInChI=1S/C17H13FN4O2/c1-10-14(8-12-7-13(18)4-5-15(12)20-10)17(24)22-21-16(23)11-3-2-6-19-9-11/h2-9H,1H3,(H,21,23)(H,22,24)
InChIKeyQALBCFJDUAPIBT-UHFFFAOYSA-N
XLogP2.15
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-benzoyl-6-fluoro-2-methylquinoline-3-carbohydrazide
CID 4732209
2,3-dimethyl-N'-(pyridine-3-carbonyl)quinoxaline-6-carbohydrazide
CID 39966213
N-(4-fluorophenyl)-4-methyl-3-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide
CID 35152346
N-(5-chloro-2-pyridinyl)-6-fluoro-2-methylquinoline-3-carboxamide
CID 4732180
bis(N-[(E)-(6-fluoro-2-hydroxyquinolin-3-yl)methylideneamino]pyridine-3-carboxamide);zinc
CID 137242158
N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]pyridine-3-carboxamide
CID 137425184
6-fluoro-N-[3-(2-fluorophenoxy)propyl]-2-methylquinoline-3-carboxamide
CID 46975779
N'-[2-(2-bromo-4-fluorophenoxy)acetyl]pyridine-3-carbohydrazide
CID 18162269
N-[1-(3,5-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 140591732
6-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]-2-methylquinoline-3-carboxamide
CID 46975783
N-(4-fluorophenyl)pyridine-3-carboxamide;hydrochloride
CID 110756411
N-[(2-fluorophenyl)methyl]-2-methyl-1,6-naphthyridine-3-carboxamide
CID 110851218

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-N'-(pyridine-3-carbonyl)quinoline-3-carbohydrazide?
The IUPAC name of 6-fluoro-2-methyl-N'-(pyridine-3-carbonyl)quinoline-3-carbohydrazide (CID 4732228) is 6-fluoro-2-methyl-N'-(pyridine-3-carbonyl)quinoline-3-carbohydrazide.
What is the SMILES notation for 6-fluoro-2-methyl-N'-(pyridine-3-carbonyl)quinoline-3-carbohydrazide?
The canonical SMILES for 6-fluoro-2-methyl-N'-(pyridine-3-carbonyl)quinoline-3-carbohydrazide is Cc1nc2ccc(F)cc2cc1C(=O)NNC(=O)c1cccnc1.
What is the InChIKey of 6-fluoro-2-methyl-N'-(pyridine-3-carbonyl)quinoline-3-carbohydrazide?
The InChIKey is QALBCFJDUAPIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2/c1-10-14(8-12-7-13(18)4-5-15(12)20-10)17(24)22-21-16(23)11-3-2-6-19-9-11/h2-9H,1H3,(H,21,23)(H,22,24).
What are the key properties of 6-fluoro-2-methyl-N'-(pyridine-3-carbonyl)quinoline-3-carbohydrazide?
6-fluoro-2-methyl-N'-(pyridine-3-carbonyl)quinoline-3-carbohydrazide has a molecular weight of 324.32 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-N'-(pyridine-3-carbonyl)quinoline-3-carbohydrazide is sourced from PubChem (CID 4732228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).