N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide

C24H19N5O2S — CID 24598219

IUPACN'-(3-ethyl-4-oxoquinazolin-2-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide
SMILESCCn1c(NNC(=O)c2cc(-c3cccs3)nc3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C24H19N5O2S/c1-2-29-23(31)16-9-4-6-11-19(16)26-24(29)28-27-22(30)17-14-20(21-12-7-13-32-21)25-18-10-5-3-8-15(17)18/h3-14H,2H2,1H3,(H,26,28)(H,27,30)
InChIKeyKAIMJALEBBQHHR-UHFFFAOYSA-N
MW441.52 g/mol
LogP4.45
Rot. Bonds5

About N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide

N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide (PubChem CID 24598219) has the molecular formula C24H19N5O2S and a molecular weight of 441.52 g/mol. Its IUPAC name is N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-(3-ethyl-4-oxoquinazolin-2-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide
PubChem CID24598219
Molecular FormulaC24H19N5O2S
Molecular Weight441.52 g/mol
Exact Mass441.13
IUPAC NameN'-(3-ethyl-4-oxoquinazolin-2-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide
SMILESCCn1c(NNC(=O)c2cc(-c3cccs3)nc3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C24H19N5O2S/c1-2-29-23(31)16-9-4-6-11-19(16)26-24(29)28-27-22(30)17-14-20(21-12-7-13-32-21)25-18-10-5-3-8-15(17)18/h3-14H,2H2,1H3,(H,26,28)(H,27,30)
InChIKeyKAIMJALEBBQHHR-UHFFFAOYSA-N
XLogP4.45
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-phenylquinoline-4-carbohydrazide
CID 24598204
N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide
CID 24598222
N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 78774952
N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-oxo-1H-quinoline-4-carbohydrazide
CID 18289419
3-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-hydroxy-5-methylbenzohydrazide
CID 55940700
N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-methylindole-3-carbohydrazide
CID 46554469
2-ethoxy-N'-(3-ethyl-4-oxoquinazolin-2-yl)pyridine-3-carbohydrazide
CID 18139335
N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,4-dimethylbenzohydrazide
CID 51251526
N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 15944885
5-ethyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)-4-methylthiophene-2-carbohydrazide
CID 18139295
N'-(3-ethyl-4-oxoquinazolin-2-yl)-6-methylpyridine-2-carbohydrazide
CID 134001910
N-(4-phenylbutan-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3576119

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide?
The IUPAC name of N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide (CID 24598219) is N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide.
What is the SMILES notation for N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide?
The canonical SMILES for N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide is CCn1c(NNC(=O)c2cc(-c3cccs3)nc3ccccc23)nc2ccccc2c1=O.
What is the InChIKey of N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide?
The InChIKey is KAIMJALEBBQHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2S/c1-2-29-23(31)16-9-4-6-11-19(16)26-24(29)28-27-22(30)17-14-20(21-12-7-13-32-21)25-18-10-5-3-8-15(17)18/h3-14H,2H2,1H3,(H,26,28)(H,27,30).
What are the key properties of N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide?
N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide has a molecular weight of 441.52 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide is sourced from PubChem (CID 24598219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).