N'-[2-(4-bromophenoxy)acetyl]-7-fluoro-2-methylquinoline-4-carbohydrazide

C19H15BrFN3O3 — CID 78859425

IUPACN'-[2-(4-bromophenoxy)acetyl]-7-fluoro-2-methylquinoline-4-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)COc2ccc(Br)cc2)c2ccc(F)cc2n1
InChIInChI=1S/C19H15BrFN3O3/c1-11-8-16(15-7-4-13(21)9-17(15)22-11)19(26)24-23-18(25)10-27-14-5-2-12(20)3-6-14/h2-9H,10H2,1H3,(H,23,25)(H,24,26)
InChIKeyZGJVKPRVELQLHT-UHFFFAOYSA-N
MW432.25 g/mol
LogP3.28
Rot. Bonds4

About N'-[2-(4-bromophenoxy)acetyl]-7-fluoro-2-methylquinoline-4-carbohydrazide

N'-[2-(4-bromophenoxy)acetyl]-7-fluoro-2-methylquinoline-4-carbohydrazide (PubChem CID 78859425) has the molecular formula C19H15BrFN3O3 and a molecular weight of 432.25 g/mol. Its IUPAC name is N'-[2-(4-bromophenoxy)acetyl]-7-fluoro-2-methylquinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromophenoxy)acetyl]-7-fluoro-2-methylquinoline-4-carbohydrazide
PubChem CID78859425
Molecular FormulaC19H15BrFN3O3
Molecular Weight432.25 g/mol
Exact Mass431.03
IUPAC NameN'-[2-(4-bromophenoxy)acetyl]-7-fluoro-2-methylquinoline-4-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)COc2ccc(Br)cc2)c2ccc(F)cc2n1
InChIInChI=1S/C19H15BrFN3O3/c1-11-8-16(15-7-4-13(21)9-17(15)22-11)19(26)24-23-18(25)10-27-14-5-2-12(20)3-6-14/h2-9H,10H2,1H3,(H,23,25)(H,24,26)
InChIKeyZGJVKPRVELQLHT-UHFFFAOYSA-N
XLogP3.28
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.25
LogP ≤ 53.28
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'-[2-(4-cyanophenoxy)acetyl]-2-methylquinoline-4-carbohydrazide
CID 9471732
N'-[2-(4-bromophenoxy)acetyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carbohydrazide
CID 78852321
N-(2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide
CID 46686523
N'-[2-(4-bromophenoxy)acetyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetohydrazide
CID 78852324
6-fluoro-2-methyl-N'-(2-phenylacetyl)quinoline-4-carbohydrazide
CID 4732359
3-bromo-N'-[2-(4-bromophenoxy)acetyl]-5-fluorobenzohydrazide
CID 78877450
N-cyclohexyl-7-fluoro-2-methylquinoline-4-carboxamide
CID 46409117
5-bromo-N'-[2-(3,4-dimethylphenoxy)acetyl]-2-fluorobenzohydrazide
CID 26846108
methyl 2,4-difluoro-5-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]benzoate
CID 39119523
2,6-dimethyl-N'-[2-(4-methylphenoxy)acetyl]pyridine-3-carbohydrazide
CID 78895668
6-fluoro-N'-(4-fluorobenzoyl)-2-methylquinoline-4-carbohydrazide
CID 4732337
2-bromo-4-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide
CID 24538888

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromophenoxy)acetyl]-7-fluoro-2-methylquinoline-4-carbohydrazide?
The IUPAC name of N'-[2-(4-bromophenoxy)acetyl]-7-fluoro-2-methylquinoline-4-carbohydrazide (CID 78859425) is N'-[2-(4-bromophenoxy)acetyl]-7-fluoro-2-methylquinoline-4-carbohydrazide.
What is the SMILES notation for N'-[2-(4-bromophenoxy)acetyl]-7-fluoro-2-methylquinoline-4-carbohydrazide?
The canonical SMILES for N'-[2-(4-bromophenoxy)acetyl]-7-fluoro-2-methylquinoline-4-carbohydrazide is Cc1cc(C(=O)NNC(=O)COc2ccc(Br)cc2)c2ccc(F)cc2n1.
What is the InChIKey of N'-[2-(4-bromophenoxy)acetyl]-7-fluoro-2-methylquinoline-4-carbohydrazide?
The InChIKey is ZGJVKPRVELQLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrFN3O3/c1-11-8-16(15-7-4-13(21)9-17(15)22-11)19(26)24-23-18(25)10-27-14-5-2-12(20)3-6-14/h2-9H,10H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(4-bromophenoxy)acetyl]-7-fluoro-2-methylquinoline-4-carbohydrazide?
N'-[2-(4-bromophenoxy)acetyl]-7-fluoro-2-methylquinoline-4-carbohydrazide has a molecular weight of 432.25 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromophenoxy)acetyl]-7-fluoro-2-methylquinoline-4-carbohydrazide is sourced from PubChem (CID 78859425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).