2-(2,6-dimethylmorpholine-4-carbonyl)-3-methoxy-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid

C27H26F3N3O6S — CID 66892684

IUPAC2-(2,6-dimethylmorpholine-4-carbonyl)-3-methoxy-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid
SMILESCOc1c(C(=O)N2CC(C)OC(C)C2)sc2c1c(=O)n(Cc1ccccn1)c1ccccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C25H25N3O4S.C2HF3O2/c1-15-12-27(13-16(2)32-15)25(30)23-21(31-3)20-22(33-23)18-9-4-5-10-19(18)28(24(20)29)14-17-8-6-7-11-26-17;3-2(4,5)1(6)7/h4-11,15-16H,12-14H2,1-3H3;(H,6,7)
InChIKeyMZHRWANHELVXQR-UHFFFAOYSA-N
MW577.58 g/mol
LogP4.55
Rot. Bonds4

About 2-(2,6-dimethylmorpholine-4-carbonyl)-3-methoxy-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid

2-(2,6-dimethylmorpholine-4-carbonyl)-3-methoxy-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid (PubChem CID 66892684) has the molecular formula C27H26F3N3O6S and a molecular weight of 577.58 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholine-4-carbonyl)-3-methoxy-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholine-4-carbonyl)-3-methoxy-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid
PubChem CID66892684
Molecular FormulaC27H26F3N3O6S
Molecular Weight577.58 g/mol
Exact Mass577.15
IUPAC Name2-(2,6-dimethylmorpholine-4-carbonyl)-3-methoxy-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid
SMILESCOc1c(C(=O)N2CC(C)OC(C)C2)sc2c1c(=O)n(Cc1ccccn1)c1ccccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C25H25N3O4S.C2HF3O2/c1-15-12-27(13-16(2)32-15)25(30)23-21(31-3)20-22(33-23)18-9-4-5-10-19(18)28(24(20)29)14-17-8-6-7-11-26-17;3-2(4,5)1(6)7/h4-11,15-16H,12-14H2,1-3H3;(H,6,7)
InChIKeyMZHRWANHELVXQR-UHFFFAOYSA-N
XLogP4.55
TPSA110.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.58
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
2-(4-ethylpiperazine-1-carbonyl)-3-methoxy-5-methylthieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid
CID 66892869
methane;3-methoxy-4-oxo-N-(2-piperidin-1-ylethyl)-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide
CID 157152915
3-methoxy-N-[3-[2-(methylamino)ethylamino]propyl]-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide
CID 147234724
4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid
CID 157226605
5-methyl-2-(4-methylpiperazine-1-carbonyl)-3-phenylmethoxythieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid
CID 66893185
N-(1-benzylpyrrolidin-3-yl)-3-methoxy-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid
CID 66891059
3-methoxy-N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)-4-oxothieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid
CID 66892790
N-[2-(diethylamino)ethyl]-3-(methoxymethyl)-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide
CID 123471951
N-ethyl-3-methoxy-N-methyl-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide
CID 70809892
[(3aR,6aS)-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(5-methylfuran-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 171696584
5-methyl-4-oxo-N-(oxolan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid
CID 66893323

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholine-4-carbonyl)-3-methoxy-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 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) is 2-(2,6-dimethylmorpholine-4-carbonyl)-3-methoxy-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(2,6-dimethylmorpholine-4-carbonyl)-3-methoxy-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(2,6-dimethylmorpholine-4-carbonyl)-3-methoxy-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid is COc1c(C(=O)N2CC(C)OC(C)C2)sc2c1c(=O)n(Cc1ccccn1)c1ccccc21.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(2,6-dimethylmorpholine-4-carbonyl)-3-methoxy-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid?
The InChIKey is MZHRWANHELVXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S.C2HF3O2/c1-15-12-27(13-16(2)32-15)25(30)23-21(31-3)20-22(33-23)18-9-4-5-10-19(18)28(24(20)29)14-17-8-6-7-11-26-17;3-2(4,5)1(6)7/h4-11,15-16H,12-14H2,1-3H3;(H,6,7).
What are the key properties of 2-(2,6-dimethylmorpholine-4-carbonyl)-3-methoxy-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid?
2-(2,6-dimethylmorpholine-4-carbonyl)-3-methoxy-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid has a molecular weight of 577.58 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholine-4-carbonyl)-3-methoxy-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66892684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).