N'-(5-ethyl-4-methylthiophene-2-carbonyl)-2-oxo-1H-quinoline-3-carbohydrazide

C18H17N3O3S — CID 24619949

IUPACN'-(5-ethyl-4-methylthiophene-2-carbonyl)-2-oxo-1H-quinoline-3-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)c2cc3ccccc3[nH]c2=O)cc1C
InChIInChI=1S/C18H17N3O3S/c1-3-14-10(2)8-15(25-14)18(24)21-20-17(23)12-9-11-6-4-5-7-13(11)19-16(12)22/h4-9H,3H2,1-2H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyUEDJURYWZBTIKR-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.54
Rot. Bonds3

About N'-(5-ethyl-4-methylthiophene-2-carbonyl)-2-oxo-1H-quinoline-3-carbohydrazide

N'-(5-ethyl-4-methylthiophene-2-carbonyl)-2-oxo-1H-quinoline-3-carbohydrazide (PubChem CID 24619949) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N'-(5-ethyl-4-methylthiophene-2-carbonyl)-2-oxo-1H-quinoline-3-carbohydrazide.

Molecular Properties

Compound NameN'-(5-ethyl-4-methylthiophene-2-carbonyl)-2-oxo-1H-quinoline-3-carbohydrazide
PubChem CID24619949
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN'-(5-ethyl-4-methylthiophene-2-carbonyl)-2-oxo-1H-quinoline-3-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)c2cc3ccccc3[nH]c2=O)cc1C
InChIInChI=1S/C18H17N3O3S/c1-3-14-10(2)8-15(25-14)18(24)21-20-17(23)12-9-11-6-4-5-7-13(11)19-16(12)22/h4-9H,3H2,1-2H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyUEDJURYWZBTIKR-UHFFFAOYSA-N
XLogP2.54
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(5-ethyl-4-methylthiophene-2-carbonyl)-2-oxo-1H-quinoline-3-carbohydrazide?
The IUPAC name of N'-(5-ethyl-4-methylthiophene-2-carbonyl)-2-oxo-1H-quinoline-3-carbohydrazide (CID 24619949) is N'-(5-ethyl-4-methylthiophene-2-carbonyl)-2-oxo-1H-quinoline-3-carbohydrazide.
What is the SMILES notation for N'-(5-ethyl-4-methylthiophene-2-carbonyl)-2-oxo-1H-quinoline-3-carbohydrazide?
The canonical SMILES for N'-(5-ethyl-4-methylthiophene-2-carbonyl)-2-oxo-1H-quinoline-3-carbohydrazide is CCc1sc(C(=O)NNC(=O)c2cc3ccccc3[nH]c2=O)cc1C.
What is the InChIKey of N'-(5-ethyl-4-methylthiophene-2-carbonyl)-2-oxo-1H-quinoline-3-carbohydrazide?
The InChIKey is UEDJURYWZBTIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-3-14-10(2)8-15(25-14)18(24)21-20-17(23)12-9-11-6-4-5-7-13(11)19-16(12)22/h4-9H,3H2,1-2H3,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of N'-(5-ethyl-4-methylthiophene-2-carbonyl)-2-oxo-1H-quinoline-3-carbohydrazide?
N'-(5-ethyl-4-methylthiophene-2-carbonyl)-2-oxo-1H-quinoline-3-carbohydrazide has a molecular weight of 355.42 g/mol, XLogP of 2.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-ethyl-4-methylthiophene-2-carbonyl)-2-oxo-1H-quinoline-3-carbohydrazide is sourced from PubChem (CID 24619949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).