N'-[3-(trifluoromethyl)benzoyl]thieno[2,3-b]quinoline-2-carbohydrazide

C20H12F3N3O2S — CID 1485303

IUPACN'-[3-(trifluoromethyl)benzoyl]thieno[2,3-b]quinoline-2-carbohydrazide
SMILESO=C(NNC(=O)c1cc2cc3ccccc3nc2s1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H12F3N3O2S/c21-20(22,23)14-6-3-5-12(9-14)17(27)25-26-18(28)16-10-13-8-11-4-1-2-7-15(11)24-19(13)29-16/h1-10H,(H,25,27)(H,26,28)
InChIKeyLLDNFTYJRZFDII-UHFFFAOYSA-N
MW415.40 g/mol
LogP4.54
Rot. Bonds2

About N'-[3-(trifluoromethyl)benzoyl]thieno[2,3-b]quinoline-2-carbohydrazide

N'-[3-(trifluoromethyl)benzoyl]thieno[2,3-b]quinoline-2-carbohydrazide (PubChem CID 1485303) has the molecular formula C20H12F3N3O2S and a molecular weight of 415.40 g/mol. Its IUPAC name is N'-[3-(trifluoromethyl)benzoyl]thieno[2,3-b]quinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(trifluoromethyl)benzoyl]thieno[2,3-b]quinoline-2-carbohydrazide
PubChem CID1485303
Molecular FormulaC20H12F3N3O2S
Molecular Weight415.40 g/mol
Exact Mass415.06
IUPAC NameN'-[3-(trifluoromethyl)benzoyl]thieno[2,3-b]quinoline-2-carbohydrazide
SMILESO=C(NNC(=O)c1cc2cc3ccccc3nc2s1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H12F3N3O2S/c21-20(22,23)14-6-3-5-12(9-14)17(27)25-26-18(28)16-10-13-8-11-4-1-2-7-15(11)24-19(13)29-16/h1-10H,(H,25,27)(H,26,28)
InChIKeyLLDNFTYJRZFDII-UHFFFAOYSA-N
XLogP4.54
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]quinoline-2-carboxamide
CID 20966316
N'-(3-hydroxybenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 17393057
N'-[3-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide
CID 7979324
N-(2-quinolin-2-ylethyl)-3-(trifluoromethyl)benzamide
CID 172890631
3-(trifluoromethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
CID 599454
N'-(4-ethylbenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 7925712
N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 57207970
N'-(1-adamantyl)-3-(trifluoromethyl)benzohydrazide
CID 134093435
N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 89461680
N-(7-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 89461424
N-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;benzene
CID 143292872
2-methyl-N'-[3-(trifluoromethyl)benzoyl]furan-3-carbohydrazide
CID 27171508

Frequently Asked Questions

What is the IUPAC name of N'-[3-(trifluoromethyl)benzoyl]thieno[2,3-b]quinoline-2-carbohydrazide?
The IUPAC name of N'-[3-(trifluoromethyl)benzoyl]thieno[2,3-b]quinoline-2-carbohydrazide (CID 1485303) is N'-[3-(trifluoromethyl)benzoyl]thieno[2,3-b]quinoline-2-carbohydrazide.
What is the SMILES notation for N'-[3-(trifluoromethyl)benzoyl]thieno[2,3-b]quinoline-2-carbohydrazide?
The canonical SMILES for N'-[3-(trifluoromethyl)benzoyl]thieno[2,3-b]quinoline-2-carbohydrazide is O=C(NNC(=O)c1cc2cc3ccccc3nc2s1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N'-[3-(trifluoromethyl)benzoyl]thieno[2,3-b]quinoline-2-carbohydrazide?
The InChIKey is LLDNFTYJRZFDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O2S/c21-20(22,23)14-6-3-5-12(9-14)17(27)25-26-18(28)16-10-13-8-11-4-1-2-7-15(11)24-19(13)29-16/h1-10H,(H,25,27)(H,26,28).
What are the key properties of N'-[3-(trifluoromethyl)benzoyl]thieno[2,3-b]quinoline-2-carbohydrazide?
N'-[3-(trifluoromethyl)benzoyl]thieno[2,3-b]quinoline-2-carbohydrazide has a molecular weight of 415.40 g/mol, XLogP of 4.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(trifluoromethyl)benzoyl]thieno[2,3-b]quinoline-2-carbohydrazide is sourced from PubChem (CID 1485303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).