2-bromo-N'-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]benzohydrazide

C19H20BrN3O2 — CID 8593408

IUPAC2-bromo-N'-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]benzohydrazide
SMILESCc1ccc2c(c1)CCCN2CC(=O)NNC(=O)c1ccccc1Br
InChIInChI=1S/C19H20BrN3O2/c1-13-8-9-17-14(11-13)5-4-10-23(17)12-18(24)21-22-19(25)15-6-2-3-7-16(15)20/h2-3,6-9,11H,4-5,10,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyGYHGWDMCRLIDOF-UHFFFAOYSA-N
MW402.29 g/mol
LogP2.97
Rot. Bonds3

About 2-bromo-N'-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]benzohydrazide

2-bromo-N'-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]benzohydrazide (PubChem CID 8593408) has the molecular formula C19H20BrN3O2 and a molecular weight of 402.29 g/mol. Its IUPAC name is 2-bromo-N'-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-bromo-N'-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]benzohydrazide
PubChem CID8593408
Molecular FormulaC19H20BrN3O2
Molecular Weight402.29 g/mol
Exact Mass401.07
IUPAC Name2-bromo-N'-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]benzohydrazide
SMILESCc1ccc2c(c1)CCCN2CC(=O)NNC(=O)c1ccccc1Br
InChIInChI=1S/C19H20BrN3O2/c1-13-8-9-17-14(11-13)5-4-10-23(17)12-18(24)21-22-19(25)15-6-2-3-7-16(15)20/h2-3,6-9,11H,4-5,10,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyGYHGWDMCRLIDOF-UHFFFAOYSA-N
XLogP2.97
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 52.97
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-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]benzohydrazide
CID 8593415
N-cyclopropyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 17383788
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]naphthalene-1-carbohydrazide
CID 26853974
2-chloro-N'-[2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetyl]benzohydrazide
CID 37203095
N-(2-cyanophenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 8593510
2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8593487
2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8593411
2-methyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]benzohydrazide
CID 9224240
2-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 26853830
1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-(4-methylphenyl)sulfonylurea
CID 2330130
methyl 2-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 22194618
1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-(4-methylphenyl)thiourea
CID 8659384

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]benzohydrazide?
The IUPAC name of 2-bromo-N'-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]benzohydrazide (CID 8593408) is 2-bromo-N'-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]benzohydrazide.
What is the SMILES notation for 2-bromo-N'-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]benzohydrazide?
The canonical SMILES for 2-bromo-N'-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]benzohydrazide is Cc1ccc2c(c1)CCCN2CC(=O)NNC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N'-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]benzohydrazide?
The InChIKey is GYHGWDMCRLIDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O2/c1-13-8-9-17-14(11-13)5-4-10-23(17)12-18(24)21-22-19(25)15-6-2-3-7-16(15)20/h2-3,6-9,11H,4-5,10,12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 2-bromo-N'-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]benzohydrazide?
2-bromo-N'-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]benzohydrazide has a molecular weight of 402.29 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]benzohydrazide is sourced from PubChem (CID 8593408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).