3-amino-N-(2-bromo-4,6-difluorophenyl)-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

C23H24BrF2N3OS — CID 23916986

IUPAC3-amino-N-(2-bromo-4,6-difluorophenyl)-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCCC(C)(C)C1CCc2nc3sc(C(=O)Nc4c(F)cc(F)cc4Br)c(N)c3cc2C1
InChIInChI=1S/C23H24BrF2N3OS/c1-4-23(2,3)12-5-6-17-11(7-12)8-14-18(27)20(31-22(14)28-17)21(30)29-19-15(24)9-13(25)10-16(19)26/h8-10,12H,4-7,27H2,1-3H3,(H,29,30)
InChIKeyWDUXLPPFIDARRY-UHFFFAOYSA-N
MW508.43 g/mol
LogP6.71
Rot. Bonds4

About 3-amino-N-(2-bromo-4,6-difluorophenyl)-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

3-amino-N-(2-bromo-4,6-difluorophenyl)-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 23916986) has the molecular formula C23H24BrF2N3OS and a molecular weight of 508.43 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-4,6-difluorophenyl)-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-4,6-difluorophenyl)-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
PubChem CID23916986
Molecular FormulaC23H24BrF2N3OS
Molecular Weight508.43 g/mol
Exact Mass507.08
IUPAC Name3-amino-N-(2-bromo-4,6-difluorophenyl)-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCCC(C)(C)C1CCc2nc3sc(C(=O)Nc4c(F)cc(F)cc4Br)c(N)c3cc2C1
InChIInChI=1S/C23H24BrF2N3OS/c1-4-23(2,3)12-5-6-17-11(7-12)8-14-18(27)20(31-22(14)28-17)21(30)29-19-15(24)9-13(25)10-16(19)26/h8-10,12H,4-7,27H2,1-3H3,(H,29,30)
InChIKeyWDUXLPPFIDARRY-UHFFFAOYSA-N
XLogP6.71
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.43
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-(2-bromo-4,6-difluorophenyl)-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-4,6-difluorophenyl)-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-N-(2-bromo-4,6-difluorophenyl)-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CID 23916986) is 3-amino-N-(2-bromo-4,6-difluorophenyl)-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-bromo-4,6-difluorophenyl)-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-bromo-4,6-difluorophenyl)-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is CCC(C)(C)C1CCc2nc3sc(C(=O)Nc4c(F)cc(F)cc4Br)c(N)c3cc2C1.
What is the InChIKey of 3-amino-N-(2-bromo-4,6-difluorophenyl)-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is WDUXLPPFIDARRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrF2N3OS/c1-4-23(2,3)12-5-6-17-11(7-12)8-14-18(27)20(31-22(14)28-17)21(30)29-19-15(24)9-13(25)10-16(19)26/h8-10,12H,4-7,27H2,1-3H3,(H,29,30).
What are the key properties of 3-amino-N-(2-bromo-4,6-difluorophenyl)-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
3-amino-N-(2-bromo-4,6-difluorophenyl)-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 508.43 g/mol, XLogP of 6.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromo-4,6-difluorophenyl)-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 23916986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).