6-chloro-3-(2-hydrazinyl-1,3-thiazol-4-yl)-1-methyl-4-phenylquinolin-2-one

C19H15ClN4OS — CID 53348929

IUPAC6-chloro-3-(2-hydrazinyl-1,3-thiazol-4-yl)-1-methyl-4-phenylquinolin-2-one
SMILESCn1c(=O)c(-c2csc(NN)n2)c(-c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C19H15ClN4OS/c1-24-15-8-7-12(20)9-13(15)16(11-5-3-2-4-6-11)17(18(24)25)14-10-26-19(22-14)23-21/h2-10H,21H2,1H3,(H,22,23)
InChIKeyQXIOZANRPUTKNB-UHFFFAOYSA-N
MW382.88 g/mol
LogP4.27
Rot. Bonds3

About 6-chloro-3-(2-hydrazinyl-1,3-thiazol-4-yl)-1-methyl-4-phenylquinolin-2-one

6-chloro-3-(2-hydrazinyl-1,3-thiazol-4-yl)-1-methyl-4-phenylquinolin-2-one (PubChem CID 53348929) has the molecular formula C19H15ClN4OS and a molecular weight of 382.88 g/mol. Its IUPAC name is 6-chloro-3-(2-hydrazinyl-1,3-thiazol-4-yl)-1-methyl-4-phenylquinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-(2-hydrazinyl-1,3-thiazol-4-yl)-1-methyl-4-phenylquinolin-2-one
PubChem CID53348929
Molecular FormulaC19H15ClN4OS
Molecular Weight382.88 g/mol
Exact Mass382.07
IUPAC Name6-chloro-3-(2-hydrazinyl-1,3-thiazol-4-yl)-1-methyl-4-phenylquinolin-2-one
SMILESCn1c(=O)c(-c2csc(NN)n2)c(-c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C19H15ClN4OS/c1-24-15-8-7-12(20)9-13(15)16(11-5-3-2-4-6-11)17(18(24)25)14-10-26-19(22-14)23-21/h2-10H,21H2,1H3,(H,22,23)
InChIKeyQXIOZANRPUTKNB-UHFFFAOYSA-N
XLogP4.27
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.88
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 6-chloro-3-(2-hydrazinyl-1,3-thiazol-4-yl)-1-methyl-4-phenylquinolin-2-one?
The IUPAC name of 6-chloro-3-(2-hydrazinyl-1,3-thiazol-4-yl)-1-methyl-4-phenylquinolin-2-one (CID 53348929) is 6-chloro-3-(2-hydrazinyl-1,3-thiazol-4-yl)-1-methyl-4-phenylquinolin-2-one.
What is the SMILES notation for 6-chloro-3-(2-hydrazinyl-1,3-thiazol-4-yl)-1-methyl-4-phenylquinolin-2-one?
The canonical SMILES for 6-chloro-3-(2-hydrazinyl-1,3-thiazol-4-yl)-1-methyl-4-phenylquinolin-2-one is Cn1c(=O)c(-c2csc(NN)n2)c(-c2ccccc2)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-3-(2-hydrazinyl-1,3-thiazol-4-yl)-1-methyl-4-phenylquinolin-2-one?
The InChIKey is QXIOZANRPUTKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4OS/c1-24-15-8-7-12(20)9-13(15)16(11-5-3-2-4-6-11)17(18(24)25)14-10-26-19(22-14)23-21/h2-10H,21H2,1H3,(H,22,23).
What are the key properties of 6-chloro-3-(2-hydrazinyl-1,3-thiazol-4-yl)-1-methyl-4-phenylquinolin-2-one?
6-chloro-3-(2-hydrazinyl-1,3-thiazol-4-yl)-1-methyl-4-phenylquinolin-2-one has a molecular weight of 382.88 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-hydrazinyl-1,3-thiazol-4-yl)-1-methyl-4-phenylquinolin-2-one is sourced from PubChem (CID 53348929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).