3-(4-ethylphenyl)-8-fluoro-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-c]quinoline-2-carboxamide

C25H23FN2O2S — CID 94073794

IUPAC3-(4-ethylphenyl)-8-fluoro-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-c]quinoline-2-carboxamide
SMILESCCc1ccc(-c2c(C(=O)NC[C@H]3CCCO3)sc3c2cnc2ccc(F)cc23)cc1
InChIInChI=1S/C25H23FN2O2S/c1-2-15-5-7-16(8-6-15)22-20-14-27-21-10-9-17(26)12-19(21)23(20)31-24(22)25(29)28-13-18-4-3-11-30-18/h5-10,12,14,18H,2-4,11,13H2,1H3,(H,28,29)/t18-/m1/s1
InChIKeyIPKWOYRUZBCBLB-GOSISDBHSA-N
MW434.54 g/mol
LogP5.73
Rot. Bonds5

About 3-(4-ethylphenyl)-8-fluoro-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-c]quinoline-2-carboxamide

3-(4-ethylphenyl)-8-fluoro-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-c]quinoline-2-carboxamide (PubChem CID 94073794) has the molecular formula C25H23FN2O2S and a molecular weight of 434.54 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-8-fluoro-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-8-fluoro-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-c]quinoline-2-carboxamide
PubChem CID94073794
Molecular FormulaC25H23FN2O2S
Molecular Weight434.54 g/mol
Exact Mass434.15
IUPAC Name3-(4-ethylphenyl)-8-fluoro-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-c]quinoline-2-carboxamide
SMILESCCc1ccc(-c2c(C(=O)NC[C@H]3CCCO3)sc3c2cnc2ccc(F)cc23)cc1
InChIInChI=1S/C25H23FN2O2S/c1-2-15-5-7-16(8-6-15)22-20-14-27-21-10-9-17(26)12-19(21)23(20)31-24(22)25(29)28-13-18-4-3-11-30-18/h5-10,12,14,18H,2-4,11,13H2,1H3,(H,28,29)/t18-/m1/s1
InChIKeyIPKWOYRUZBCBLB-GOSISDBHSA-N
XLogP5.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-ethylphenyl)-8-fluoro-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-c]quinoline-2-carboxamide with MolForge

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Related Compounds

8-methyl-3-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-c]quinoline-2-carboxamide
CID 94073763
4-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide
CID 100749423
5-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 99599447
6-fluoro-N-(oxolan-2-ylmethyl)quinoline-2-carboxamide
CID 110464461
3-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 40649827
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
3-amino-7-methyl-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107112796
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 31883592
6-(4-fluorophenyl)-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 95554649
1-(4-ethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 95183308
1-(6-fluoro-1,3-benzothiazol-2-yl)-3-(oxolan-2-ylmethyl)urea
CID 17435912
2-(2,4-difluoroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252478

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-8-fluoro-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 3-(4-ethylphenyl)-8-fluoro-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-c]quinoline-2-carboxamide (CID 94073794) is 3-(4-ethylphenyl)-8-fluoro-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 3-(4-ethylphenyl)-8-fluoro-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 3-(4-ethylphenyl)-8-fluoro-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-c]quinoline-2-carboxamide is CCc1ccc(-c2c(C(=O)NC[C@H]3CCCO3)sc3c2cnc2ccc(F)cc23)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-8-fluoro-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is IPKWOYRUZBCBLB-GOSISDBHSA-N. The full InChI is InChI=1S/C25H23FN2O2S/c1-2-15-5-7-16(8-6-15)22-20-14-27-21-10-9-17(26)12-19(21)23(20)31-24(22)25(29)28-13-18-4-3-11-30-18/h5-10,12,14,18H,2-4,11,13H2,1H3,(H,28,29)/t18-/m1/s1.
What are the key properties of 3-(4-ethylphenyl)-8-fluoro-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-c]quinoline-2-carboxamide?
3-(4-ethylphenyl)-8-fluoro-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-8-fluoro-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 94073794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).