4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid

C20H14F3N3O4S — CID 157226605

IUPAC4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)c1cc2c(=O)n(Cc3ccccn3)c3ccccc3c2s1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H13N3O2S.C2HF3O2/c19-17(22)15-9-13-16(24-15)12-6-1-2-7-14(12)21(18(13)23)10-11-5-3-4-8-20-11;3-2(4,5)1(6)7/h1-9H,10H2,(H2,19,22);(H,6,7)
InChIKeyATPMIMSCHXDQAE-UHFFFAOYSA-N
MW449.41 g/mol
LogP3.39
Rot. Bonds3

About 4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid

4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 157226605) has the molecular formula C20H14F3N3O4S and a molecular weight of 449.41 g/mol. Its IUPAC name is 4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID157226605
Molecular FormulaC20H14F3N3O4S
Molecular Weight449.41 g/mol
Exact Mass449.07
IUPAC Name4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)c1cc2c(=O)n(Cc3ccccn3)c3ccccc3c2s1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H13N3O2S.C2HF3O2/c19-17(22)15-9-13-16(24-15)12-6-1-2-7-14(12)21(18(13)23)10-11-5-3-4-8-20-11;3-2(4,5)1(6)7/h1-9H,10H2,(H2,19,22);(H,6,7)
InChIKeyATPMIMSCHXDQAE-UHFFFAOYSA-N
XLogP3.39
TPSA115.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

2-(2,6-dimethylmorpholine-4-carbonyl)-3-methoxy-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid
CID 66892684
3-methoxy-4-oxo-N-(3-propan-2-yloxypropyl)-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid
CID 66892168
5,11-bis(pyridin-2-ylmethyl)indolo[3,2-b]carbazole
CID 102503171
4-chloro-6-fluoro-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid
CID 141191905
5-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20865415
N-cyclopentyl-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 6622578
2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzamide
CID 67862947
1-(pyridin-2-ylmethyl)piperazine;bis(2,2,2-trifluoroacetic acid)
CID 22648051
4-chloro-6-methyl-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid
CID 141191896
5-amino-6-fluoro-3-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-one
CID 15622567
N-(2-cyanoethyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 6622369
ethyl 9-(pyridin-2-ylmethyl)pyrido[3,4-b]indole-3-carboxylate
CID 122187131

Frequently Asked Questions

What is the IUPAC name of 4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid (CID 157226605) is 4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid is NC(=O)c1cc2c(=O)n(Cc3ccccn3)c3ccccc3c2s1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is ATPMIMSCHXDQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S.C2HF3O2/c19-17(22)15-9-13-16(24-15)12-6-1-2-7-14(12)21(18(13)23)10-11-5-3-4-8-20-11;3-2(4,5)1(6)7/h1-9H,10H2,(H2,19,22);(H,6,7).
What are the key properties of 4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid?
4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 449.41 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 157226605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).