2-(3,3-dimethyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzohydrazide

C29H29N3O2 — CID 68896899

IUPAC2-(3,3-dimethyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzohydrazide
SMILESCC1(C)CC(c2ccccc2)(c2cc(OCc3ccc4ccccc4n3)ccc2C(=O)NN)C1
InChIInChI=1S/C29H29N3O2/c1-28(2)18-29(19-28,21-9-4-3-5-10-21)25-16-23(14-15-24(25)27(33)32-30)34-17-22-13-12-20-8-6-7-11-26(20)31-22/h3-16H,17-19,30H2,1-2H3,(H,32,33)
InChIKeyLKQXDZVFYYLYTB-UHFFFAOYSA-N
MW451.57 g/mol
LogP5.52
Rot. Bonds6

About 2-(3,3-dimethyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzohydrazide

2-(3,3-dimethyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzohydrazide (PubChem CID 68896899) has the molecular formula C29H29N3O2 and a molecular weight of 451.57 g/mol. Its IUPAC name is 2-(3,3-dimethyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzohydrazide.

Molecular Properties

Compound Name2-(3,3-dimethyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzohydrazide
PubChem CID68896899
Molecular FormulaC29H29N3O2
Molecular Weight451.57 g/mol
Exact Mass451.23
IUPAC Name2-(3,3-dimethyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzohydrazide
SMILESCC1(C)CC(c2ccccc2)(c2cc(OCc3ccc4ccccc4n3)ccc2C(=O)NN)C1
InChIInChI=1S/C29H29N3O2/c1-28(2)18-29(19-28,21-9-4-3-5-10-21)25-16-23(14-15-24(25)27(33)32-30)34-17-22-13-12-20-8-6-7-11-26(20)31-22/h3-16H,17-19,30H2,1-2H3,(H,32,33)
InChIKeyLKQXDZVFYYLYTB-UHFFFAOYSA-N
XLogP5.52
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid
CID 67896812
CID 89063446
CID 89063446
ethane;methane;2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)phenol
CID 143292387
2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid
CID 110168584
methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate
CID 23224644
2-(fluoromethoxy)-N-methyl-4-(quinolin-2-ylmethoxy)benzamide
CID 68577951
4-[(6-fluoroquinolin-2-yl)methoxy]-N'-hydroxy-2-(3-methyl-1-phenylcyclobutyl)benzenecarboximidamide
CID 87650536
quinolin-2-ylmethyl 2-fluoro-4-(quinolin-2-ylmethoxy)benzoate
CID 68576822
CID 67726997
CID 67726997
methyl 1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentane-1-carboxylate
CID 15052569
2-(3-phenylpentan-3-yl)-4-(quinolin-2-ylmethoxy)benzoic acid
CID 69253282
[2-[(1S,2R,4S)-2-phenyl-2-bicyclo[2.2.1]heptanyl]-4-(quinolin-2-ylmethoxy)phenyl]-pyrrolidin-1-ylmethanone
CID 70696347

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzohydrazide?
The IUPAC name of 2-(3,3-dimethyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzohydrazide (CID 68896899) is 2-(3,3-dimethyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzohydrazide.
What is the SMILES notation for 2-(3,3-dimethyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzohydrazide?
The canonical SMILES for 2-(3,3-dimethyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzohydrazide is CC1(C)CC(c2ccccc2)(c2cc(OCc3ccc4ccccc4n3)ccc2C(=O)NN)C1.
What is the InChIKey of 2-(3,3-dimethyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzohydrazide?
The InChIKey is LKQXDZVFYYLYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O2/c1-28(2)18-29(19-28,21-9-4-3-5-10-21)25-16-23(14-15-24(25)27(33)32-30)34-17-22-13-12-20-8-6-7-11-26(20)31-22/h3-16H,17-19,30H2,1-2H3,(H,32,33).
What are the key properties of 2-(3,3-dimethyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzohydrazide?
2-(3,3-dimethyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzohydrazide has a molecular weight of 451.57 g/mol, XLogP of 5.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzohydrazide is sourced from PubChem (CID 68896899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).