2-[2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]-5,7-dichloroquinolin-8-ol

C14H8BrCl2N3OS — CID 3632615

IUPAC2-[2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]-5,7-dichloroquinolin-8-ol
SMILESOc1c(Cl)cc(Cl)c2ccc(NN=Cc3cc(Br)cs3)nc12
InChIInChI=1S/C14H8BrCl2N3OS/c15-7-3-8(22-6-7)5-18-20-12-2-1-9-10(16)4-11(17)14(21)13(9)19-12/h1-6,21H,(H,19,20)
InChIKeyQNAJVKAABMAMMQ-UHFFFAOYSA-N
MW417.12 g/mol
LogP5.52
Rot. Bonds3

About 2-[2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]-5,7-dichloroquinolin-8-ol

2-[2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]-5,7-dichloroquinolin-8-ol (PubChem CID 3632615) has the molecular formula C14H8BrCl2N3OS and a molecular weight of 417.12 g/mol. Its IUPAC name is 2-[2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]-5,7-dichloroquinolin-8-ol.

Molecular Properties

Compound Name2-[2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]-5,7-dichloroquinolin-8-ol
PubChem CID3632615
Molecular FormulaC14H8BrCl2N3OS
Molecular Weight417.12 g/mol
Exact Mass414.89
IUPAC Name2-[2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]-5,7-dichloroquinolin-8-ol
SMILESOc1c(Cl)cc(Cl)c2ccc(NN=Cc3cc(Br)cs3)nc12
InChIInChI=1S/C14H8BrCl2N3OS/c15-7-3-8(22-6-7)5-18-20-12-2-1-9-10(16)4-11(17)14(21)13(9)19-12/h1-6,21H,(H,19,20)
InChIKeyQNAJVKAABMAMMQ-UHFFFAOYSA-N
XLogP5.52
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.12
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]-5,7-dichloroquinolin-8-ol?
The IUPAC name of 2-[2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]-5,7-dichloroquinolin-8-ol (CID 3632615) is 2-[2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]-5,7-dichloroquinolin-8-ol.
What is the SMILES notation for 2-[2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]-5,7-dichloroquinolin-8-ol?
The canonical SMILES for 2-[2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]-5,7-dichloroquinolin-8-ol is Oc1c(Cl)cc(Cl)c2ccc(NN=Cc3cc(Br)cs3)nc12.
What is the InChIKey of 2-[2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]-5,7-dichloroquinolin-8-ol?
The InChIKey is QNAJVKAABMAMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2N3OS/c15-7-3-8(22-6-7)5-18-20-12-2-1-9-10(16)4-11(17)14(21)13(9)19-12/h1-6,21H,(H,19,20).
What are the key properties of 2-[2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]-5,7-dichloroquinolin-8-ol?
2-[2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]-5,7-dichloroquinolin-8-ol has a molecular weight of 417.12 g/mol, XLogP of 5.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]-5,7-dichloroquinolin-8-ol is sourced from PubChem (CID 3632615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).