N-[8-(difluoromethoxy)quinolin-5-yl]-5-nitrothiophene-3-carboxamide

C15H9F2N3O4S — CID 71888381

IUPACN-[8-(difluoromethoxy)quinolin-5-yl]-5-nitrothiophene-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c2ncccc12)c1csc([N+](=O)[O-])c1
InChIInChI=1S/C15H9F2N3O4S/c16-15(17)24-11-4-3-10(9-2-1-5-18-13(9)11)19-14(21)8-6-12(20(22)23)25-7-8/h1-7,15H,(H,19,21)
InChIKeyTVYZDESGHDMXQS-UHFFFAOYSA-N
MW365.32 g/mol
LogP4.06
Rot. Bonds5

About N-[8-(difluoromethoxy)quinolin-5-yl]-5-nitrothiophene-3-carboxamide

N-[8-(difluoromethoxy)quinolin-5-yl]-5-nitrothiophene-3-carboxamide (PubChem CID 71888381) has the molecular formula C15H9F2N3O4S and a molecular weight of 365.32 g/mol. Its IUPAC name is N-[8-(difluoromethoxy)quinolin-5-yl]-5-nitrothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[8-(difluoromethoxy)quinolin-5-yl]-5-nitrothiophene-3-carboxamide
PubChem CID71888381
Molecular FormulaC15H9F2N3O4S
Molecular Weight365.32 g/mol
Exact Mass365.03
IUPAC NameN-[8-(difluoromethoxy)quinolin-5-yl]-5-nitrothiophene-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c2ncccc12)c1csc([N+](=O)[O-])c1
InChIInChI=1S/C15H9F2N3O4S/c16-15(17)24-11-4-3-10(9-2-1-5-18-13(9)11)19-14(21)8-6-12(20(22)23)25-7-8/h1-7,15H,(H,19,21)
InChIKeyTVYZDESGHDMXQS-UHFFFAOYSA-N
XLogP4.06
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[8-(difluoromethoxy)quinolin-5-yl]-1,1-diethylurea
CID 60554221
N-[8-(difluoromethoxy)quinolin-5-yl]-2-hydroxy-2-phenylacetamide
CID 111537177
3-[[8-(difluoromethoxy)quinolin-5-yl]carbamoyl-methylamino]propanoic acid
CID 122077436
N-[8-(difluoromethoxy)quinolin-5-yl]-2-[(2R)-oxolan-2-yl]acetamide
CID 99842569
(3S)-N-[8-(difluoromethoxy)quinolin-5-yl]-3-hydroxypiperidine-1-carboxamide
CID 95665624
N-[8-(difluoromethoxy)quinolin-5-yl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 55965595
1-benzyl-3-[8-(difluoromethoxy)quinolin-5-yl]-1-(4-methoxybutyl)urea
CID 60582989
N-(2-amino-5-fluorophenyl)-5-nitrothiophene-3-carboxamide
CID 55168020
N-(8-methoxyquinolin-5-yl)-3-methylbenzamide
CID 26823022
1-[(5-chlorothiophen-2-yl)methyl]-3-[8-(difluoromethoxy)quinolin-5-yl]-1-ethylurea
CID 60553928
1-[8-(difluoromethoxy)quinolin-5-yl]-3-(3-imidazol-1-ylpropyl)urea
CID 60549695
N-[8-(difluoromethoxy)quinolin-5-yl]-2-(2-oxoazepan-1-yl)acetamide
CID 71888385

Frequently Asked Questions

What is the IUPAC name of N-[8-(difluoromethoxy)quinolin-5-yl]-5-nitrothiophene-3-carboxamide?
The IUPAC name of N-[8-(difluoromethoxy)quinolin-5-yl]-5-nitrothiophene-3-carboxamide (CID 71888381) is N-[8-(difluoromethoxy)quinolin-5-yl]-5-nitrothiophene-3-carboxamide.
What is the SMILES notation for N-[8-(difluoromethoxy)quinolin-5-yl]-5-nitrothiophene-3-carboxamide?
The canonical SMILES for N-[8-(difluoromethoxy)quinolin-5-yl]-5-nitrothiophene-3-carboxamide is O=C(Nc1ccc(OC(F)F)c2ncccc12)c1csc([N+](=O)[O-])c1.
What is the InChIKey of N-[8-(difluoromethoxy)quinolin-5-yl]-5-nitrothiophene-3-carboxamide?
The InChIKey is TVYZDESGHDMXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N3O4S/c16-15(17)24-11-4-3-10(9-2-1-5-18-13(9)11)19-14(21)8-6-12(20(22)23)25-7-8/h1-7,15H,(H,19,21).
What are the key properties of N-[8-(difluoromethoxy)quinolin-5-yl]-5-nitrothiophene-3-carboxamide?
N-[8-(difluoromethoxy)quinolin-5-yl]-5-nitrothiophene-3-carboxamide has a molecular weight of 365.32 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(difluoromethoxy)quinolin-5-yl]-5-nitrothiophene-3-carboxamide is sourced from PubChem (CID 71888381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).