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

C18H17N3OS — CID 4575187

IUPAC3-amino-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESNc1c(C(=O)Nc2ccccc2)sc2nc3c(cc12)CCCC3
InChIInChI=1S/C18H17N3OS/c19-15-13-10-11-6-4-5-9-14(11)21-18(13)23-16(15)17(22)20-12-7-2-1-3-8-12/h1-3,7-8,10H,4-6,9,19H2,(H,20,22)
InChIKeyJRZBGFHJUKMXIK-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.01
Rot. Bonds2

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

3-amino-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 4575187) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 3-amino-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
PubChem CID4575187
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name3-amino-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESNc1c(C(=O)Nc2ccccc2)sc2nc3c(cc12)CCCC3
InChIInChI=1S/C18H17N3OS/c19-15-13-10-11-6-4-5-9-14(11)21-18(13)23-16(15)17(22)20-12-7-2-1-3-8-12/h1-3,7-8,10H,4-6,9,19H2,(H,20,22)
InChIKeyJRZBGFHJUKMXIK-UHFFFAOYSA-N
XLogP4.01
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CID 4575187) is 3-amino-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is Nc1c(C(=O)Nc2ccccc2)sc2nc3c(cc12)CCCC3.
What is the InChIKey of 3-amino-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is JRZBGFHJUKMXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c19-15-13-10-11-6-4-5-9-14(11)21-18(13)23-16(15)17(22)20-12-7-2-1-3-8-12/h1-3,7-8,10H,4-6,9,19H2,(H,20,22).
What are the key properties of 3-amino-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
3-amino-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 4575187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).