2-(4-aminophenyl)-6-bromoquinoline-4-carbohydrazide

C16H13BrN4O — CID 1379186

IUPAC2-(4-aminophenyl)-6-bromoquinoline-4-carbohydrazide
SMILESNNC(=O)c1cc(-c2ccc(N)cc2)nc2ccc(Br)cc12
InChIInChI=1S/C16H13BrN4O/c17-10-3-6-14-12(7-10)13(16(22)21-19)8-15(20-14)9-1-4-11(18)5-2-9/h1-8H,18-19H2,(H,21,22)
InChIKeyADOVMKXWNWCKIX-UHFFFAOYSA-N
MW357.21 g/mol
LogP2.85
Rot. Bonds2

About 2-(4-aminophenyl)-6-bromoquinoline-4-carbohydrazide

2-(4-aminophenyl)-6-bromoquinoline-4-carbohydrazide (PubChem CID 1379186) has the molecular formula C16H13BrN4O and a molecular weight of 357.21 g/mol. Its IUPAC name is 2-(4-aminophenyl)-6-bromoquinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-(4-aminophenyl)-6-bromoquinoline-4-carbohydrazide
PubChem CID1379186
Molecular FormulaC16H13BrN4O
Molecular Weight357.21 g/mol
Exact Mass356.03
IUPAC Name2-(4-aminophenyl)-6-bromoquinoline-4-carbohydrazide
SMILESNNC(=O)c1cc(-c2ccc(N)cc2)nc2ccc(Br)cc12
InChIInChI=1S/C16H13BrN4O/c17-10-3-6-14-12(7-10)13(16(22)21-19)8-15(20-14)9-1-4-11(18)5-2-9/h1-8H,18-19H2,(H,21,22)
InChIKeyADOVMKXWNWCKIX-UHFFFAOYSA-N
XLogP2.85
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-6-bromoquinoline-4-carbohydrazide?
The IUPAC name of 2-(4-aminophenyl)-6-bromoquinoline-4-carbohydrazide (CID 1379186) is 2-(4-aminophenyl)-6-bromoquinoline-4-carbohydrazide.
What is the SMILES notation for 2-(4-aminophenyl)-6-bromoquinoline-4-carbohydrazide?
The canonical SMILES for 2-(4-aminophenyl)-6-bromoquinoline-4-carbohydrazide is NNC(=O)c1cc(-c2ccc(N)cc2)nc2ccc(Br)cc12.
What is the InChIKey of 2-(4-aminophenyl)-6-bromoquinoline-4-carbohydrazide?
The InChIKey is ADOVMKXWNWCKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O/c17-10-3-6-14-12(7-10)13(16(22)21-19)8-15(20-14)9-1-4-11(18)5-2-9/h1-8H,18-19H2,(H,21,22).
What are the key properties of 2-(4-aminophenyl)-6-bromoquinoline-4-carbohydrazide?
2-(4-aminophenyl)-6-bromoquinoline-4-carbohydrazide has a molecular weight of 357.21 g/mol, XLogP of 2.85, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-6-bromoquinoline-4-carbohydrazide is sourced from PubChem (CID 1379186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).