3-amino-5-hydroxy-N-(4-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

C19H19N3O3S — CID 155805195

IUPAC3-amino-5-hydroxy-N-(4-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C(O)CCC4)cc1
InChIInChI=1S/C19H19N3O3S/c1-25-11-7-5-10(6-8-11)21-18(24)17-16(20)13-9-12-14(22-19(13)26-17)3-2-4-15(12)23/h5-9,15,23H,2-4,20H2,1H3,(H,21,24)
InChIKeyHWHYTWJCXVGWMH-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.51
Rot. Bonds3

About 3-amino-5-hydroxy-N-(4-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

3-amino-5-hydroxy-N-(4-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 155805195) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 3-amino-5-hydroxy-N-(4-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-hydroxy-N-(4-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
PubChem CID155805195
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name3-amino-5-hydroxy-N-(4-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C(O)CCC4)cc1
InChIInChI=1S/C19H19N3O3S/c1-25-11-7-5-10(6-8-11)21-18(24)17-16(20)13-9-12-14(22-19(13)26-17)3-2-4-15(12)23/h5-9,15,23H,2-4,20H2,1H3,(H,21,24)
InChIKeyHWHYTWJCXVGWMH-UHFFFAOYSA-N
XLogP3.51
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(4-methoxyphenyl)-5-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155201860
3-amino-7-methoxy-N-(4-methoxyphenyl)thieno[2,3-b]quinoline-2-carboxamide
CID 1132039
6-amino-N-(4-methylphenyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide
CID 839017
6-amino-N-(4-methylphenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide
CID 1023419
6-amino-N-(2,4-dimethoxyphenyl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide
CID 1025275
3-amino-N-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1005081
3-amino-N-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
CID 1390366
6-amino-N-pyridin-4-yl-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide
CID 21232440
3-amino-5-benzoyl-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155812590
3-amino-5-[hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 162421447
6-amino-N-[2,5-dimethoxy-4-(phenylcarbamoyl)phenyl]-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide
CID 171133183
3-amino-6-tert-butyl-N-(3,5-dimethoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23745662

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-hydroxy-N-(4-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-5-hydroxy-N-(4-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CID 155805195) is 3-amino-5-hydroxy-N-(4-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-5-hydroxy-N-(4-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-5-hydroxy-N-(4-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is COc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C(O)CCC4)cc1.
What is the InChIKey of 3-amino-5-hydroxy-N-(4-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is HWHYTWJCXVGWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-25-11-7-5-10(6-8-11)21-18(24)17-16(20)13-9-12-14(22-19(13)26-17)3-2-4-15(12)23/h5-9,15,23H,2-4,20H2,1H3,(H,21,24).
What are the key properties of 3-amino-5-hydroxy-N-(4-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
3-amino-5-hydroxy-N-(4-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 3.51, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-hydroxy-N-(4-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 155805195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).