2-methyl-N'-[2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]benzohydrazide

C20H23N3O2 — CID 4732456

IUPAC2-methyl-N'-[2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]benzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)CC1c2ccccc2CCN1C
InChIInChI=1S/C20H23N3O2/c1-14-7-3-5-9-16(14)20(25)22-21-19(24)13-18-17-10-6-4-8-15(17)11-12-23(18)2/h3-10,18H,11-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyFYZUJKAQHYYJRM-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.38
Rot. Bonds3

About 2-methyl-N'-[2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]benzohydrazide

2-methyl-N'-[2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]benzohydrazide (PubChem CID 4732456) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-methyl-N'-[2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-methyl-N'-[2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]benzohydrazide
PubChem CID4732456
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-methyl-N'-[2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]benzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)CC1c2ccccc2CCN1C
InChIInChI=1S/C20H23N3O2/c1-14-7-3-5-9-16(14)20(25)22-21-19(24)13-18-17-10-6-4-8-15(17)11-12-23(18)2/h3-10,18H,11-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyFYZUJKAQHYYJRM-UHFFFAOYSA-N
XLogP2.38
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.38
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-(2-bromophenyl)-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetamide
CID 4732430
N-(5-chloro-2-pyridinyl)-2-[(1S)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]acetamide
CID 943818
N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]acetamide
CID 21030190
1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide
CID 4630875
N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]formamide
CID 23333330
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetamide
CID 4732371
2-methyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]benzohydrazide
CID 9224240
2-[[2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]amino]benzamide
CID 134049123
N'-[2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 55428102
ethyl 2-[[(1S)-1-(2-methoxy-2-oxoethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]benzoate
CID 92711277
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-ethylacetamide
CID 134049116
(1S)-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
CID 129266150

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]benzohydrazide?
The IUPAC name of 2-methyl-N'-[2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]benzohydrazide (CID 4732456) is 2-methyl-N'-[2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]benzohydrazide.
What is the SMILES notation for 2-methyl-N'-[2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]benzohydrazide?
The canonical SMILES for 2-methyl-N'-[2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]benzohydrazide is Cc1ccccc1C(=O)NNC(=O)CC1c2ccccc2CCN1C.
What is the InChIKey of 2-methyl-N'-[2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]benzohydrazide?
The InChIKey is FYZUJKAQHYYJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-7-3-5-9-16(14)20(25)22-21-19(24)13-18-17-10-6-4-8-15(17)11-12-23(18)2/h3-10,18H,11-13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 2-methyl-N'-[2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]benzohydrazide?
2-methyl-N'-[2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]benzohydrazide has a molecular weight of 337.42 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]benzohydrazide is sourced from PubChem (CID 4732456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).