4,6-dimethyl-3-[3-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]butyl]-1H-quinolin-2-one

C24H24N4OS — CID 138374069

IUPAC4,6-dimethyl-3-[3-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]butyl]-1H-quinolin-2-one
SMILESCC(CCc1c(C)c2cc(C)ccc2[nH]c1=O)=NNc1nc(-c2ccccc2)cs1
InChIInChI=1S/C24H24N4OS/c1-15-9-12-21-20(13-15)17(3)19(23(29)25-21)11-10-16(2)27-28-24-26-22(14-30-24)18-7-5-4-6-8-18/h4-9,12-14H,10-11H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyBHZMMFUPQGHZNQ-UHFFFAOYSA-N
MW416.55 g/mol
LogP5.69
Rot. Bonds6

About 4,6-dimethyl-3-[3-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]butyl]-1H-quinolin-2-one

4,6-dimethyl-3-[3-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]butyl]-1H-quinolin-2-one (PubChem CID 138374069) has the molecular formula C24H24N4OS and a molecular weight of 416.55 g/mol. Its IUPAC name is 4,6-dimethyl-3-[3-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]butyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-3-[3-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]butyl]-1H-quinolin-2-one
PubChem CID138374069
Molecular FormulaC24H24N4OS
Molecular Weight416.55 g/mol
Exact Mass416.17
IUPAC Name4,6-dimethyl-3-[3-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]butyl]-1H-quinolin-2-one
SMILESCC(CCc1c(C)c2cc(C)ccc2[nH]c1=O)=NNc1nc(-c2ccccc2)cs1
InChIInChI=1S/C24H24N4OS/c1-15-9-12-21-20(13-15)17(3)19(23(29)25-21)11-10-16(2)27-28-24-26-22(14-30-24)18-7-5-4-6-8-18/h4-9,12-14H,10-11H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyBHZMMFUPQGHZNQ-UHFFFAOYSA-N
XLogP5.69
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 55.69
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 4,6-dimethyl-3-[3-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]butyl]-1H-quinolin-2-one?
The IUPAC name of 4,6-dimethyl-3-[3-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]butyl]-1H-quinolin-2-one (CID 138374069) is 4,6-dimethyl-3-[3-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]butyl]-1H-quinolin-2-one.
What is the SMILES notation for 4,6-dimethyl-3-[3-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]butyl]-1H-quinolin-2-one?
The canonical SMILES for 4,6-dimethyl-3-[3-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]butyl]-1H-quinolin-2-one is CC(CCc1c(C)c2cc(C)ccc2[nH]c1=O)=NNc1nc(-c2ccccc2)cs1.
What is the InChIKey of 4,6-dimethyl-3-[3-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]butyl]-1H-quinolin-2-one?
The InChIKey is BHZMMFUPQGHZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4OS/c1-15-9-12-21-20(13-15)17(3)19(23(29)25-21)11-10-16(2)27-28-24-26-22(14-30-24)18-7-5-4-6-8-18/h4-9,12-14H,10-11H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of 4,6-dimethyl-3-[3-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]butyl]-1H-quinolin-2-one?
4,6-dimethyl-3-[3-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]butyl]-1H-quinolin-2-one has a molecular weight of 416.55 g/mol, XLogP of 5.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-[3-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]butyl]-1H-quinolin-2-one is sourced from PubChem (CID 138374069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).