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

C19H19N3OS — CID 709531

IUPAC3-amino-N-(2-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)CCCC3
InChIInChI=1S/C19H19N3OS/c1-11-6-2-4-8-14(11)21-18(23)17-16(20)13-10-12-7-3-5-9-15(12)22-19(13)24-17/h2,4,6,8,10H,3,5,7,9,20H2,1H3,(H,21,23)
InChIKeyJPRNTSHCTIJJHG-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.32
Rot. Bonds2

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

3-amino-N-(2-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 709531) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 3-amino-N-(2-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
PubChem CID709531
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name3-amino-N-(2-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)CCCC3
InChIInChI=1S/C19H19N3OS/c1-11-6-2-4-8-14(11)21-18(23)17-16(20)13-10-12-7-3-5-9-15(12)22-19(13)24-17/h2,4,6,8,10H,3,5,7,9,20H2,1H3,(H,21,23)
InChIKeyJPRNTSHCTIJJHG-UHFFFAOYSA-N
XLogP4.32
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-N-(2-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CID 709531) is 3-amino-N-(2-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is Cc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)CCCC3.
What is the InChIKey of 3-amino-N-(2-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is JPRNTSHCTIJJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-11-6-2-4-8-14(11)21-18(23)17-16(20)13-10-12-7-3-5-9-15(12)22-19(13)24-17/h2,4,6,8,10H,3,5,7,9,20H2,1H3,(H,21,23).
What are the key properties of 3-amino-N-(2-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
3-amino-N-(2-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 709531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).