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

C26H24F3N3O6S — CID 66893323

IUPAC5-methyl-4-oxo-N-(oxolan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCn1c(=O)c2c(OCc3ccncc3)c(C(=O)NCC3CCCO3)sc2c2ccccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C24H23N3O4S.C2HF3O2/c1-27-18-7-3-2-6-17(18)21-19(24(27)29)20(31-14-15-8-10-25-11-9-15)22(32-21)23(28)26-13-16-5-4-12-30-16;3-2(4,5)1(6)7/h2-3,6-11,16H,4-5,12-14H2,1H3,(H,26,28);(H,6,7)
InChIKeySWPRQQQKGCZNAN-UHFFFAOYSA-N
MW563.55 g/mol
LogP4.27
Rot. Bonds6

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

5-methyl-4-oxo-N-(oxolan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 66893323) has the molecular formula C26H24F3N3O6S and a molecular weight of 563.55 g/mol. Its IUPAC name is 5-methyl-4-oxo-N-(oxolan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-methyl-4-oxo-N-(oxolan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID66893323
Molecular FormulaC26H24F3N3O6S
Molecular Weight563.55 g/mol
Exact Mass563.13
IUPAC Name5-methyl-4-oxo-N-(oxolan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCn1c(=O)c2c(OCc3ccncc3)c(C(=O)NCC3CCCO3)sc2c2ccccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C24H23N3O4S.C2HF3O2/c1-27-18-7-3-2-6-17(18)21-19(24(27)29)20(31-14-15-8-10-25-11-9-15)22(32-21)23(28)26-13-16-5-4-12-30-16;3-2(4,5)1(6)7/h2-3,6-11,16H,4-5,12-14H2,1H3,(H,26,28);(H,6,7)
InChIKeySWPRQQQKGCZNAN-UHFFFAOYSA-N
XLogP4.27
TPSA119.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.55
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

ethane;5-methyl-4-oxo-N-(oxolan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)thieno[3,2-c]quinoline-2-carboxamide
CID 143856820
5-methyl-2-(4-methylpiperazine-1-carbonyl)-3-phenylmethoxythieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid
CID 66893185
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
N-(oxolan-2-ylmethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574102
3-amino-7-methyl-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107112796
N-(oxolan-2-ylmethyl)-4-(phenoxymethyl)benzamide
CID 24684666
N-(oxolan-2-ylmethyl)-2-phenyl-3-pyridin-4-ylpropanamide
CID 110407872
1-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 97352945
N-[(1-acetylpiperidin-2-yl)methyl]-3-methoxy-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide
CID 123903317
2,3,5-trimethyl-4-oxo-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 52985518
2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 92869820
4-amino-3-benzyl-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 42585843

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-oxo-N-(oxolan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 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) is 5-methyl-4-oxo-N-(oxolan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-methyl-4-oxo-N-(oxolan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-methyl-4-oxo-N-(oxolan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid is Cn1c(=O)c2c(OCc3ccncc3)c(C(=O)NCC3CCCO3)sc2c2ccccc21.O=C(O)C(F)(F)F.
What is the InChIKey of 5-methyl-4-oxo-N-(oxolan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is SWPRQQQKGCZNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S.C2HF3O2/c1-27-18-7-3-2-6-17(18)21-19(24(27)29)20(31-14-15-8-10-25-11-9-15)22(32-21)23(28)26-13-16-5-4-12-30-16;3-2(4,5)1(6)7/h2-3,6-11,16H,4-5,12-14H2,1H3,(H,26,28);(H,6,7).
What are the key properties of 5-methyl-4-oxo-N-(oxolan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid?
5-methyl-4-oxo-N-(oxolan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 563.55 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-oxo-N-(oxolan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66893323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).