3-methyl-2-phenyl-N'-quinolin-5-ylbutanehydrazide

C20H21N3O — CID 11955683

IUPAC3-methyl-2-phenyl-N'-quinolin-5-ylbutanehydrazide
SMILESCC(C)C(C(=O)NNc1cccc2ncccc12)c1ccccc1
InChIInChI=1S/C20H21N3O/c1-14(2)19(15-8-4-3-5-9-15)20(24)23-22-18-12-6-11-17-16(18)10-7-13-21-17/h3-14,19,22H,1-2H3,(H,23,24)
InChIKeyIVVAECWWGBTKEU-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.12
Rot. Bonds5

About 3-methyl-2-phenyl-N'-quinolin-5-ylbutanehydrazide

3-methyl-2-phenyl-N'-quinolin-5-ylbutanehydrazide (PubChem CID 11955683) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-methyl-2-phenyl-N'-quinolin-5-ylbutanehydrazide.

Molecular Properties

Compound Name3-methyl-2-phenyl-N'-quinolin-5-ylbutanehydrazide
PubChem CID11955683
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name3-methyl-2-phenyl-N'-quinolin-5-ylbutanehydrazide
SMILESCC(C)C(C(=O)NNc1cccc2ncccc12)c1ccccc1
InChIInChI=1S/C20H21N3O/c1-14(2)19(15-8-4-3-5-9-15)20(24)23-22-18-12-6-11-17-16(18)10-7-13-21-17/h3-14,19,22H,1-2H3,(H,23,24)
InChIKeyIVVAECWWGBTKEU-UHFFFAOYSA-N
XLogP4.12
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.12
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

N-(1-phenylethyl)quinolin-5-amine
CID 43177987
2,3-dimethyl-4-oxo-4-(quinolin-5-ylamino)butanoic acid
CID 103496081
2-bromo-N-quinolin-5-ylpropanamide
CID 107902854
2-phenoxy-N-quinolin-5-ylpropanamide
CID 18076800
2-phenyl-2-pyrrol-1-yl-N-quinolin-5-ylacetamide
CID 52992860
2-methylsulfanyl-N-quinolin-5-ylpropanamide
CID 47188211
N-(2-methyl-1-phenylpropyl)quinoline-5-carboxamide
CID 43040180
2-(benzhydrylamino)-N-quinolin-5-ylacetamide
CID 42126505
1-[(2R)-butan-2-yl]-3-quinolin-5-ylurea
CID 51928178
(2S)-2-[benzyl(methyl)amino]-N-quinolin-5-ylpropanamide
CID 32727431
(2R,3S)-2,3-diphenyl-N-quinolin-8-ylbutanamide
CID 132555346
methyl N-quinolin-5-ylcarbamate
CID 110734012

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-N'-quinolin-5-ylbutanehydrazide?
The IUPAC name of 3-methyl-2-phenyl-N'-quinolin-5-ylbutanehydrazide (CID 11955683) is 3-methyl-2-phenyl-N'-quinolin-5-ylbutanehydrazide.
What is the SMILES notation for 3-methyl-2-phenyl-N'-quinolin-5-ylbutanehydrazide?
The canonical SMILES for 3-methyl-2-phenyl-N'-quinolin-5-ylbutanehydrazide is CC(C)C(C(=O)NNc1cccc2ncccc12)c1ccccc1.
What is the InChIKey of 3-methyl-2-phenyl-N'-quinolin-5-ylbutanehydrazide?
The InChIKey is IVVAECWWGBTKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14(2)19(15-8-4-3-5-9-15)20(24)23-22-18-12-6-11-17-16(18)10-7-13-21-17/h3-14,19,22H,1-2H3,(H,23,24).
What are the key properties of 3-methyl-2-phenyl-N'-quinolin-5-ylbutanehydrazide?
3-methyl-2-phenyl-N'-quinolin-5-ylbutanehydrazide has a molecular weight of 319.41 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-N'-quinolin-5-ylbutanehydrazide is sourced from PubChem (CID 11955683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).