2-(4-ethylpiperazine-1-carbonyl)-3-methoxy-5-methylthieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid

C22H24F3N3O5S — CID 66892869

IUPAC2-(4-ethylpiperazine-1-carbonyl)-3-methoxy-5-methylthieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid
SMILESCCN1CCN(C(=O)c2sc3c(c2OC)c(=O)n(C)c2ccccc32)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H23N3O3S.C2HF3O2/c1-4-22-9-11-23(12-10-22)20(25)18-16(26-3)15-17(27-18)13-7-5-6-8-14(13)21(2)19(15)24;3-2(4,5)1(6)7/h5-8H,4,9-12H2,1-3H3;(H,6,7)
InChIKeyDQHXDXFEZFHKQK-UHFFFAOYSA-N
MW499.51 g/mol
LogP3.17
Rot. Bonds3

About 2-(4-ethylpiperazine-1-carbonyl)-3-methoxy-5-methylthieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid

2-(4-ethylpiperazine-1-carbonyl)-3-methoxy-5-methylthieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid (PubChem CID 66892869) has the molecular formula C22H24F3N3O5S and a molecular weight of 499.51 g/mol. Its IUPAC name is 2-(4-ethylpiperazine-1-carbonyl)-3-methoxy-5-methylthieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(4-ethylpiperazine-1-carbonyl)-3-methoxy-5-methylthieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid
PubChem CID66892869
Molecular FormulaC22H24F3N3O5S
Molecular Weight499.51 g/mol
Exact Mass499.14
IUPAC Name2-(4-ethylpiperazine-1-carbonyl)-3-methoxy-5-methylthieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid
SMILESCCN1CCN(C(=O)c2sc3c(c2OC)c(=O)n(C)c2ccccc32)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H23N3O3S.C2HF3O2/c1-4-22-9-11-23(12-10-22)20(25)18-16(26-3)15-17(27-18)13-7-5-6-8-14(13)21(2)19(15)24;3-2(4,5)1(6)7/h5-8H,4,9-12H2,1-3H3;(H,6,7)
InChIKeyDQHXDXFEZFHKQK-UHFFFAOYSA-N
XLogP3.17
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.51
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-ethylpiperazine-1-carbonyl)-3-methoxy-5-methylthieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

5-methyl-2-(4-methylpiperazine-1-carbonyl)-3-phenylmethoxythieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid
CID 66893185
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-(1-benzylpyrrolidin-3-yl)-3-methoxy-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid
CID 66891059
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
N-butyl-5-methyl-3-(2-morpholin-4-ylethoxy)-4-oxothieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid
CID 66892596
3-butoxy-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxylic acid
CID 58092870
5-methyl-N-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylethoxy)-4-oxothieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid
CID 123734493
3-methoxy-5-methyl-4-oxothieno[3,2-c]quinoline-2-carbaldehyde
CID 88591989
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
4-(4-ethylpiperazine-1-carbonyl)-2-(4-methoxyphenyl)isoquinolin-1-one
CID 22549537
(3-methoxy-1-benzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 53014197
3-(3-chloro-4-methoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)-5-methylpyridazino[4,5-b]indol-4-one
CID 20858120

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazine-1-carbonyl)-3-methoxy-5-methylthieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(4-ethylpiperazine-1-carbonyl)-3-methoxy-5-methylthieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid (CID 66892869) is 2-(4-ethylpiperazine-1-carbonyl)-3-methoxy-5-methylthieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(4-ethylpiperazine-1-carbonyl)-3-methoxy-5-methylthieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(4-ethylpiperazine-1-carbonyl)-3-methoxy-5-methylthieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid is CCN1CCN(C(=O)c2sc3c(c2OC)c(=O)n(C)c2ccccc32)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(4-ethylpiperazine-1-carbonyl)-3-methoxy-5-methylthieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid?
The InChIKey is DQHXDXFEZFHKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S.C2HF3O2/c1-4-22-9-11-23(12-10-22)20(25)18-16(26-3)15-17(27-18)13-7-5-6-8-14(13)21(2)19(15)24;3-2(4,5)1(6)7/h5-8H,4,9-12H2,1-3H3;(H,6,7).
What are the key properties of 2-(4-ethylpiperazine-1-carbonyl)-3-methoxy-5-methylthieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid?
2-(4-ethylpiperazine-1-carbonyl)-3-methoxy-5-methylthieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid has a molecular weight of 499.51 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazine-1-carbonyl)-3-methoxy-5-methylthieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66892869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).