1-amino-5-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid

C18H16N2O2S — CID 912244

IUPAC1-amino-5-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid
SMILESNc1c(C(=O)O)sc2nc(-c3ccccc3)c3c(c12)CCCC3
InChIInChI=1S/C18H16N2O2S/c19-14-13-11-8-4-5-9-12(11)15(10-6-2-1-3-7-10)20-17(13)23-16(14)18(21)22/h1-3,6-7H,4-5,8-9,19H2,(H,21,22)
InChIKeyIMAZFPSEIOKCMU-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.12
Rot. Bonds2

About 1-amino-5-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid

1-amino-5-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid (PubChem CID 912244) has the molecular formula C18H16N2O2S and a molecular weight of 324.40 g/mol. Its IUPAC name is 1-amino-5-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name1-amino-5-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid
PubChem CID912244
Molecular FormulaC18H16N2O2S
Molecular Weight324.40 g/mol
Exact Mass324.09
IUPAC Name1-amino-5-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid
SMILESNc1c(C(=O)O)sc2nc(-c3ccccc3)c3c(c12)CCCC3
InChIInChI=1S/C18H16N2O2S/c19-14-13-11-8-4-5-9-12(11)15(10-6-2-1-3-7-10)20-17(13)23-16(14)18(21)22/h1-3,6-7H,4-5,8-9,19H2,(H,21,22)
InChIKeyIMAZFPSEIOKCMU-UHFFFAOYSA-N
XLogP4.12
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 334460
Methyl 3-amino-4,6-dimethylthieno(2,3-b)pyridine-2-carboxylate
CID 753694
3-Amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 3255800
3-Amino-4-(4-fluorophenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 1215283
1-Amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid
CID 916305
Methyl 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
CID 2838748
1-Amino-5-propan-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid
CID 3820380
Ethyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 690223
1-[1-Amino-5-(4-methylphenyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl]ethanone
CID 930578
Methyl 3-amino-4-(thiophen-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
CID 949348
ethyl 3-amino-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylate
CID 712868
Ethenyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 691782

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid?
The IUPAC name of 1-amino-5-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid (CID 912244) is 1-amino-5-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid.
What is the SMILES notation for 1-amino-5-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid?
The canonical SMILES for 1-amino-5-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid is Nc1c(C(=O)O)sc2nc(-c3ccccc3)c3c(c12)CCCC3.
What is the InChIKey of 1-amino-5-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid?
The InChIKey is IMAZFPSEIOKCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c19-14-13-11-8-4-5-9-12(11)15(10-6-2-1-3-7-10)20-17(13)23-16(14)18(21)22/h1-3,6-7H,4-5,8-9,19H2,(H,21,22).
What are the key properties of 1-amino-5-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid?
1-amino-5-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid has a molecular weight of 324.40 g/mol, XLogP of 4.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid is sourced from PubChem (CID 912244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).