N'-benzoyl-6-fluoro-2-methylquinoline-3-carbohydrazide

C18H14FN3O2 — CID 4732209

IUPACN'-benzoyl-6-fluoro-2-methylquinoline-3-carbohydrazide
SMILESCc1nc2ccc(F)cc2cc1C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C18H14FN3O2/c1-11-15(10-13-9-14(19)7-8-16(13)20-11)18(24)22-21-17(23)12-5-3-2-4-6-12/h2-10H,1H3,(H,21,23)(H,22,24)
InChIKeyQXQMETOPNPQCBT-UHFFFAOYSA-N
MW323.33 g/mol
LogP2.76
Rot. Bonds2

About N'-benzoyl-6-fluoro-2-methylquinoline-3-carbohydrazide

N'-benzoyl-6-fluoro-2-methylquinoline-3-carbohydrazide (PubChem CID 4732209) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is N'-benzoyl-6-fluoro-2-methylquinoline-3-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-6-fluoro-2-methylquinoline-3-carbohydrazide
PubChem CID4732209
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC NameN'-benzoyl-6-fluoro-2-methylquinoline-3-carbohydrazide
SMILESCc1nc2ccc(F)cc2cc1C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C18H14FN3O2/c1-11-15(10-13-9-14(19)7-8-16(13)20-11)18(24)22-21-17(23)12-5-3-2-4-6-12/h2-10H,1H3,(H,21,23)(H,22,24)
InChIKeyQXQMETOPNPQCBT-UHFFFAOYSA-N
XLogP2.76
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-2-methyl-N'-(pyridine-3-carbonyl)quinoline-3-carbohydrazide
CID 4732228
6-fluoro-2-methylquinoline-3-carboxamide
CID 945082
6-fluoro-N'-(4-fluorobenzoyl)-2-methylquinoline-4-carbohydrazide
CID 4732337
6-fluoro-N-[3-(2-fluorophenoxy)propyl]-2-methylquinoline-3-carboxamide
CID 46975779
N-(5-chloro-2-pyridinyl)-6-fluoro-2-methylquinoline-3-carboxamide
CID 4732180
naphthalen-2-yl 6-fluoro-2-methylquinoline-3-carboxylate
CID 4732123
N-(3-fluorophenyl)-2-methylquinoline-3-carboxamide
CID 2140491
methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]benzoate
CID 18126786
N'-[2-(2-cyanophenoxy)acetyl]-2,6-dimethylquinoline-3-carbohydrazide
CID 35947821
N-(1,3-benzodioxol-5-ylmethyl)-6-fluoro-2-methylquinoline-3-carboxamide
CID 4732120
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 55645214
6-chloro-N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide
CID 41377444

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-6-fluoro-2-methylquinoline-3-carbohydrazide?
The IUPAC name of N'-benzoyl-6-fluoro-2-methylquinoline-3-carbohydrazide (CID 4732209) is N'-benzoyl-6-fluoro-2-methylquinoline-3-carbohydrazide.
What is the SMILES notation for N'-benzoyl-6-fluoro-2-methylquinoline-3-carbohydrazide?
The canonical SMILES for N'-benzoyl-6-fluoro-2-methylquinoline-3-carbohydrazide is Cc1nc2ccc(F)cc2cc1C(=O)NNC(=O)c1ccccc1.
What is the InChIKey of N'-benzoyl-6-fluoro-2-methylquinoline-3-carbohydrazide?
The InChIKey is QXQMETOPNPQCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c1-11-15(10-13-9-14(19)7-8-16(13)20-11)18(24)22-21-17(23)12-5-3-2-4-6-12/h2-10H,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-benzoyl-6-fluoro-2-methylquinoline-3-carbohydrazide?
N'-benzoyl-6-fluoro-2-methylquinoline-3-carbohydrazide has a molecular weight of 323.33 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-6-fluoro-2-methylquinoline-3-carbohydrazide is sourced from PubChem (CID 4732209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).