N'-(3-bromo-5-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide

C21H20BrN3O4 — CID 29266283

IUPACN'-(3-bromo-5-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide
SMILESCCCOc1c(Br)cc(C(=O)NNC(=O)c2ccc3ccccc3n2)cc1OC
InChIInChI=1S/C21H20BrN3O4/c1-3-10-29-19-15(22)11-14(12-18(19)28-2)20(26)24-25-21(27)17-9-8-13-6-4-5-7-16(13)23-17/h4-9,11-12H,3,10H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyMQZOHVNLBJZHPT-UHFFFAOYSA-N
MW458.31 g/mol
LogP3.87
Rot. Bonds6

About N'-(3-bromo-5-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide

N'-(3-bromo-5-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide (PubChem CID 29266283) has the molecular formula C21H20BrN3O4 and a molecular weight of 458.31 g/mol. Its IUPAC name is N'-(3-bromo-5-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-bromo-5-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide
PubChem CID29266283
Molecular FormulaC21H20BrN3O4
Molecular Weight458.31 g/mol
Exact Mass457.06
IUPAC NameN'-(3-bromo-5-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide
SMILESCCCOc1c(Br)cc(C(=O)NNC(=O)c2ccc3ccccc3n2)cc1OC
InChIInChI=1S/C21H20BrN3O4/c1-3-10-29-19-15(22)11-14(12-18(19)28-2)20(26)24-25-21(27)17-9-8-13-6-4-5-7-16(13)23-17/h4-9,11-12H,3,10H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyMQZOHVNLBJZHPT-UHFFFAOYSA-N
XLogP3.87
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.31
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide
CID 26621825
3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide
CID 3931758
N'-(3-bromo-5-methoxy-4-propoxybenzoyl)thiophene-2-carbohydrazide
CID 9479373
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-bromo-5-methoxy-4-propoxybenzoate
CID 35794749
3-bromo-N,5-dimethoxy-4-propoxybenzamide
CID 51279320
3-bromo-5-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
CID 40896926
3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide
CID 5030458
N-(3,4,5-trimethoxyphenyl)quinoline-2-carboxamide
CID 17410358
3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide
CID 5213088
3-bromo-5-methoxy-4-propoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 55729923
N'-butanoylquinoline-2-carbohydrazide
CID 29266790
N'-(3,5-dimethylbenzoyl)quinoline-2-carbohydrazide
CID 29266891

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-5-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide?
The IUPAC name of N'-(3-bromo-5-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide (CID 29266283) is N'-(3-bromo-5-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide.
What is the SMILES notation for N'-(3-bromo-5-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide?
The canonical SMILES for N'-(3-bromo-5-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide is CCCOc1c(Br)cc(C(=O)NNC(=O)c2ccc3ccccc3n2)cc1OC.
What is the InChIKey of N'-(3-bromo-5-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide?
The InChIKey is MQZOHVNLBJZHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O4/c1-3-10-29-19-15(22)11-14(12-18(19)28-2)20(26)24-25-21(27)17-9-8-13-6-4-5-7-16(13)23-17/h4-9,11-12H,3,10H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N'-(3-bromo-5-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide?
N'-(3-bromo-5-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide has a molecular weight of 458.31 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-5-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide is sourced from PubChem (CID 29266283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).