6-fluoro-N'-(4-fluorobenzoyl)-2-methylquinoline-4-carbohydrazide

C18H13F2N3O2 — CID 4732337

IUPAC6-fluoro-N'-(4-fluorobenzoyl)-2-methylquinoline-4-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccc(F)cc2)c2cc(F)ccc2n1
InChIInChI=1S/C18H13F2N3O2/c1-10-8-15(14-9-13(20)6-7-16(14)21-10)18(25)23-22-17(24)11-2-4-12(19)5-3-11/h2-9H,1H3,(H,22,24)(H,23,25)
InChIKeyQBRXALIKCDIGRP-UHFFFAOYSA-N
MW341.32 g/mol
LogP2.90
Rot. Bonds2

About 6-fluoro-N'-(4-fluorobenzoyl)-2-methylquinoline-4-carbohydrazide

6-fluoro-N'-(4-fluorobenzoyl)-2-methylquinoline-4-carbohydrazide (PubChem CID 4732337) has the molecular formula C18H13F2N3O2 and a molecular weight of 341.32 g/mol. Its IUPAC name is 6-fluoro-N'-(4-fluorobenzoyl)-2-methylquinoline-4-carbohydrazide.

Molecular Properties

Compound Name6-fluoro-N'-(4-fluorobenzoyl)-2-methylquinoline-4-carbohydrazide
PubChem CID4732337
Molecular FormulaC18H13F2N3O2
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Name6-fluoro-N'-(4-fluorobenzoyl)-2-methylquinoline-4-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccc(F)cc2)c2cc(F)ccc2n1
InChIInChI=1S/C18H13F2N3O2/c1-10-8-15(14-9-13(20)6-7-16(14)21-10)18(25)23-22-17(24)11-2-4-12(19)5-3-11/h2-9H,1H3,(H,22,24)(H,23,25)
InChIKeyQBRXALIKCDIGRP-UHFFFAOYSA-N
XLogP2.90
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.90
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'-phenylquinoline-4-carbohydrazide
CID 4732291
6-fluoro-2-methyl-N'-(2-phenylacetyl)quinoline-4-carbohydrazide
CID 4732359
6-fluoro-2-methyl-N'-(pyridine-2-carbonyl)quinoline-4-carbohydrazide
CID 4732352
6-fluoro-N-(3-hydroxyphenyl)-2-methylquinoline-4-carboxamide
CID 108789542
3-[[4-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzoyl]amino]propanoic acid
CID 108802578
6-fluoro-N-(2-hydroxypropyl)-2-methylquinoline-4-carboxamide
CID 110489253
6-fluoro-2-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4732250
2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]-5-iodobenzoic acid
CID 108789589
dimethyl 5-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate
CID 4732272
5-bromo-2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzoic acid
CID 108789645
6-fluoro-2-methyl-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4732260
N'-benzoyl-6-fluoro-2-methylquinoline-3-carbohydrazide
CID 4732209

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N'-(4-fluorobenzoyl)-2-methylquinoline-4-carbohydrazide?
The IUPAC name of 6-fluoro-N'-(4-fluorobenzoyl)-2-methylquinoline-4-carbohydrazide (CID 4732337) is 6-fluoro-N'-(4-fluorobenzoyl)-2-methylquinoline-4-carbohydrazide.
What is the SMILES notation for 6-fluoro-N'-(4-fluorobenzoyl)-2-methylquinoline-4-carbohydrazide?
The canonical SMILES for 6-fluoro-N'-(4-fluorobenzoyl)-2-methylquinoline-4-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2ccc(F)cc2)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-N'-(4-fluorobenzoyl)-2-methylquinoline-4-carbohydrazide?
The InChIKey is QBRXALIKCDIGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O2/c1-10-8-15(14-9-13(20)6-7-16(14)21-10)18(25)23-22-17(24)11-2-4-12(19)5-3-11/h2-9H,1H3,(H,22,24)(H,23,25).
What are the key properties of 6-fluoro-N'-(4-fluorobenzoyl)-2-methylquinoline-4-carbohydrazide?
6-fluoro-N'-(4-fluorobenzoyl)-2-methylquinoline-4-carbohydrazide has a molecular weight of 341.32 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N'-(4-fluorobenzoyl)-2-methylquinoline-4-carbohydrazide is sourced from PubChem (CID 4732337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).