N'-(4-bromo-1H-pyrrole-2-carbonyl)-2,6-dimethylquinoline-4-carbohydrazide

C17H15BrN4O2 — CID 31597602

IUPACN'-(4-bromo-1H-pyrrole-2-carbonyl)-2,6-dimethylquinoline-4-carbohydrazide
SMILESCc1ccc2nc(C)cc(C(=O)NNC(=O)c3cc(Br)c[nH]3)c2c1
InChIInChI=1S/C17H15BrN4O2/c1-9-3-4-14-12(5-9)13(6-10(2)20-14)16(23)21-22-17(24)15-7-11(18)8-19-15/h3-8,19H,1-2H3,(H,21,23)(H,22,24)
InChIKeyOTYDVMHESGWALH-UHFFFAOYSA-N
MW387.24 g/mol
LogP3.02
Rot. Bonds2

About N'-(4-bromo-1H-pyrrole-2-carbonyl)-2,6-dimethylquinoline-4-carbohydrazide

N'-(4-bromo-1H-pyrrole-2-carbonyl)-2,6-dimethylquinoline-4-carbohydrazide (PubChem CID 31597602) has the molecular formula C17H15BrN4O2 and a molecular weight of 387.24 g/mol. Its IUPAC name is N'-(4-bromo-1H-pyrrole-2-carbonyl)-2,6-dimethylquinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-bromo-1H-pyrrole-2-carbonyl)-2,6-dimethylquinoline-4-carbohydrazide
PubChem CID31597602
Molecular FormulaC17H15BrN4O2
Molecular Weight387.24 g/mol
Exact Mass386.04
IUPAC NameN'-(4-bromo-1H-pyrrole-2-carbonyl)-2,6-dimethylquinoline-4-carbohydrazide
SMILESCc1ccc2nc(C)cc(C(=O)NNC(=O)c3cc(Br)c[nH]3)c2c1
InChIInChI=1S/C17H15BrN4O2/c1-9-3-4-14-12(5-9)13(6-10(2)20-14)16(23)21-22-17(24)15-7-11(18)8-19-15/h3-8,19H,1-2H3,(H,21,23)(H,22,24)
InChIKeyOTYDVMHESGWALH-UHFFFAOYSA-N
XLogP3.02
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 53.02
H-Bond Donors ≤ 53
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'-(4-bromo-1H-pyrrole-2-carbonyl)-2,6-dimethylquinoline-4-carbohydrazide?
The IUPAC name of N'-(4-bromo-1H-pyrrole-2-carbonyl)-2,6-dimethylquinoline-4-carbohydrazide (CID 31597602) is N'-(4-bromo-1H-pyrrole-2-carbonyl)-2,6-dimethylquinoline-4-carbohydrazide.
What is the SMILES notation for N'-(4-bromo-1H-pyrrole-2-carbonyl)-2,6-dimethylquinoline-4-carbohydrazide?
The canonical SMILES for N'-(4-bromo-1H-pyrrole-2-carbonyl)-2,6-dimethylquinoline-4-carbohydrazide is Cc1ccc2nc(C)cc(C(=O)NNC(=O)c3cc(Br)c[nH]3)c2c1.
What is the InChIKey of N'-(4-bromo-1H-pyrrole-2-carbonyl)-2,6-dimethylquinoline-4-carbohydrazide?
The InChIKey is OTYDVMHESGWALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O2/c1-9-3-4-14-12(5-9)13(6-10(2)20-14)16(23)21-22-17(24)15-7-11(18)8-19-15/h3-8,19H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-(4-bromo-1H-pyrrole-2-carbonyl)-2,6-dimethylquinoline-4-carbohydrazide?
N'-(4-bromo-1H-pyrrole-2-carbonyl)-2,6-dimethylquinoline-4-carbohydrazide has a molecular weight of 387.24 g/mol, XLogP of 3.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-1H-pyrrole-2-carbonyl)-2,6-dimethylquinoline-4-carbohydrazide is sourced from PubChem (CID 31597602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).