N'-[3-(difluoromethoxy)benzoyl]quinoline-2-carbohydrazide

C18H13F2N3O3 — CID 35064242

IUPACN'-[3-(difluoromethoxy)benzoyl]quinoline-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc2ccccc2n1)c1cccc(OC(F)F)c1
InChIInChI=1S/C18H13F2N3O3/c19-18(20)26-13-6-3-5-12(10-13)16(24)22-23-17(25)15-9-8-11-4-1-2-7-14(11)21-15/h1-10,18H,(H,22,24)(H,23,25)
InChIKeyOMONRSXVHCYARA-UHFFFAOYSA-N
MW357.32 g/mol
LogP2.91
Rot. Bonds4

About N'-[3-(difluoromethoxy)benzoyl]quinoline-2-carbohydrazide

N'-[3-(difluoromethoxy)benzoyl]quinoline-2-carbohydrazide (PubChem CID 35064242) has the molecular formula C18H13F2N3O3 and a molecular weight of 357.32 g/mol. Its IUPAC name is N'-[3-(difluoromethoxy)benzoyl]quinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(difluoromethoxy)benzoyl]quinoline-2-carbohydrazide
PubChem CID35064242
Molecular FormulaC18H13F2N3O3
Molecular Weight357.32 g/mol
Exact Mass357.09
IUPAC NameN'-[3-(difluoromethoxy)benzoyl]quinoline-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc2ccccc2n1)c1cccc(OC(F)F)c1
InChIInChI=1S/C18H13F2N3O3/c19-18(20)26-13-6-3-5-12(10-13)16(24)22-23-17(25)15-9-8-11-4-1-2-7-14(11)21-15/h1-10,18H,(H,22,24)(H,23,25)
InChIKeyOMONRSXVHCYARA-UHFFFAOYSA-N
XLogP2.91
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 52.91
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'-(3-fluorobenzoyl)quinoline-2-carbohydrazide
CID 35063560
N'-(4-fluorobenzoyl)quinoline-2-carbohydrazide
CID 7779547
2-chloro-N'-[3-(difluoromethoxy)benzoyl]benzohydrazide
CID 35929254
N'-(3,5-dimethylbenzoyl)quinoline-2-carbohydrazide
CID 29266891
N'-(4-bromobenzoyl)-3-(difluoromethoxy)benzohydrazide
CID 7945561
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-(quinoline-2-carbonyl)hydrazinyl]ethyl]benzamide
CID 35066726
N-[3-[(quinoline-2-carbonylamino)carbamoyl]phenyl]cyclopropanecarboxamide
CID 35065087
1,3-bis[3-(difluoromethoxy)phenyl]propane-1,3-dione
CID 19588274
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
3-(difluoromethoxy)-N'-(4-ethoxybenzoyl)benzohydrazide
CID 26187379
N-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide
CID 38032613
3-(difluoromethoxy)-N-(6-fluoro-2-pyridinyl)benzamide
CID 104820521

Frequently Asked Questions

What is the IUPAC name of N'-[3-(difluoromethoxy)benzoyl]quinoline-2-carbohydrazide?
The IUPAC name of N'-[3-(difluoromethoxy)benzoyl]quinoline-2-carbohydrazide (CID 35064242) is N'-[3-(difluoromethoxy)benzoyl]quinoline-2-carbohydrazide.
What is the SMILES notation for N'-[3-(difluoromethoxy)benzoyl]quinoline-2-carbohydrazide?
The canonical SMILES for N'-[3-(difluoromethoxy)benzoyl]quinoline-2-carbohydrazide is O=C(NNC(=O)c1ccc2ccccc2n1)c1cccc(OC(F)F)c1.
What is the InChIKey of N'-[3-(difluoromethoxy)benzoyl]quinoline-2-carbohydrazide?
The InChIKey is OMONRSXVHCYARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O3/c19-18(20)26-13-6-3-5-12(10-13)16(24)22-23-17(25)15-9-8-11-4-1-2-7-14(11)21-15/h1-10,18H,(H,22,24)(H,23,25).
What are the key properties of N'-[3-(difluoromethoxy)benzoyl]quinoline-2-carbohydrazide?
N'-[3-(difluoromethoxy)benzoyl]quinoline-2-carbohydrazide has a molecular weight of 357.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(difluoromethoxy)benzoyl]quinoline-2-carbohydrazide is sourced from PubChem (CID 35064242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).