N'-[1-(4-bromophenyl)cyclopropanecarbonyl]quinoline-2-carbohydrazide

C20H16BrN3O2 — CID 36575242

IUPACN'-[1-(4-bromophenyl)cyclopropanecarbonyl]quinoline-2-carbohydrazide
SMILESO=C(NNC(=O)C1(c2ccc(Br)cc2)CC1)c1ccc2ccccc2n1
InChIInChI=1S/C20H16BrN3O2/c21-15-8-6-14(7-9-15)20(11-12-20)19(26)24-23-18(25)17-10-5-13-3-1-2-4-16(13)22-17/h1-10H,11-12H2,(H,23,25)(H,24,26)
InChIKeyTZFYQWDZUICUQI-UHFFFAOYSA-N
MW410.27 g/mol
LogP3.49
Rot. Bonds3

About N'-[1-(4-bromophenyl)cyclopropanecarbonyl]quinoline-2-carbohydrazide

N'-[1-(4-bromophenyl)cyclopropanecarbonyl]quinoline-2-carbohydrazide (PubChem CID 36575242) has the molecular formula C20H16BrN3O2 and a molecular weight of 410.27 g/mol. Its IUPAC name is N'-[1-(4-bromophenyl)cyclopropanecarbonyl]quinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(4-bromophenyl)cyclopropanecarbonyl]quinoline-2-carbohydrazide
PubChem CID36575242
Molecular FormulaC20H16BrN3O2
Molecular Weight410.27 g/mol
Exact Mass409.04
IUPAC NameN'-[1-(4-bromophenyl)cyclopropanecarbonyl]quinoline-2-carbohydrazide
SMILESO=C(NNC(=O)C1(c2ccc(Br)cc2)CC1)c1ccc2ccccc2n1
InChIInChI=1S/C20H16BrN3O2/c21-15-8-6-14(7-9-15)20(11-12-20)19(26)24-23-18(25)17-10-5-13-3-1-2-4-16(13)22-17/h1-10H,11-12H2,(H,23,25)(H,24,26)
InChIKeyTZFYQWDZUICUQI-UHFFFAOYSA-N
XLogP3.49
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.27
LogP ≤ 53.49
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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Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-bromophenyl)cyclopropanecarbonyl]quinoline-2-carbohydrazide?
The IUPAC name of N'-[1-(4-bromophenyl)cyclopropanecarbonyl]quinoline-2-carbohydrazide (CID 36575242) is N'-[1-(4-bromophenyl)cyclopropanecarbonyl]quinoline-2-carbohydrazide.
What is the SMILES notation for N'-[1-(4-bromophenyl)cyclopropanecarbonyl]quinoline-2-carbohydrazide?
The canonical SMILES for N'-[1-(4-bromophenyl)cyclopropanecarbonyl]quinoline-2-carbohydrazide is O=C(NNC(=O)C1(c2ccc(Br)cc2)CC1)c1ccc2ccccc2n1.
What is the InChIKey of N'-[1-(4-bromophenyl)cyclopropanecarbonyl]quinoline-2-carbohydrazide?
The InChIKey is TZFYQWDZUICUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3O2/c21-15-8-6-14(7-9-15)20(11-12-20)19(26)24-23-18(25)17-10-5-13-3-1-2-4-16(13)22-17/h1-10H,11-12H2,(H,23,25)(H,24,26).
What are the key properties of N'-[1-(4-bromophenyl)cyclopropanecarbonyl]quinoline-2-carbohydrazide?
N'-[1-(4-bromophenyl)cyclopropanecarbonyl]quinoline-2-carbohydrazide has a molecular weight of 410.27 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-bromophenyl)cyclopropanecarbonyl]quinoline-2-carbohydrazide is sourced from PubChem (CID 36575242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).