2-(2-aminoethylamino)-1-(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone

C19H27N3OS — CID 143292446

IUPAC2-(2-aminoethylamino)-1-(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone
SMILESCC(C)(C)C1CCc2nc3sc(C(=O)CNCCN)cc3cc2C1
InChIInChI=1S/C19H27N3OS/c1-19(2,3)14-4-5-15-12(9-14)8-13-10-17(24-18(13)22-15)16(23)11-21-7-6-20/h8,10,14,21H,4-7,9,11,20H2,1-3H3
InChIKeyJSAKYJCQEHJDJE-UHFFFAOYSA-N
MW345.51 g/mol
LogP3.18
Rot. Bonds5

About 2-(2-aminoethylamino)-1-(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone

2-(2-aminoethylamino)-1-(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone (PubChem CID 143292446) has the molecular formula C19H27N3OS and a molecular weight of 345.51 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-1-(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-aminoethylamino)-1-(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone
PubChem CID143292446
Molecular FormulaC19H27N3OS
Molecular Weight345.51 g/mol
Exact Mass345.19
IUPAC Name2-(2-aminoethylamino)-1-(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone
SMILESCC(C)(C)C1CCc2nc3sc(C(=O)CNCCN)cc3cc2C1
InChIInChI=1S/C19H27N3OS/c1-19(2,3)14-4-5-15-12(9-14)8-13-10-17(24-18(13)22-15)16(23)11-21-7-6-20/h8,10,14,21H,4-7,9,11,20H2,1-3H3
InChIKeyJSAKYJCQEHJDJE-UHFFFAOYSA-N
XLogP3.18
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-aminoethylamino)-1-(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone with MolForge

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Related Compounds

N-(2-aminoethyl)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 11847752
(6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid
CID 69152451
6-tert-butyl-N-hydroxy-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid
CID 158244889
1-[(6S)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]prop-2-yn-1-one
CID 155726073
6-tert-butyl-N-[(2S)-1-hydroxybutan-2-yl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 58749804
11-tert-butyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide
CID 11847751
N-[(1S)-2-amino-1-(4-aminophenyl)ethyl]-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 11847787
6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 158446911
6-tert-butyl-N-[(1S)-2-hydroxy-1-phenylethyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 58749884
(6S)-N-[1-(4-bromophenyl)-3-oxopropyl]-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 155321127
N-[(1S)-2-amino-1-(4-carbamoylphenyl)ethyl]-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 11847821
N-(6-amino-3-pyridinyl)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 11847861

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-1-(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone?
The IUPAC name of 2-(2-aminoethylamino)-1-(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone (CID 143292446) is 2-(2-aminoethylamino)-1-(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone.
What is the SMILES notation for 2-(2-aminoethylamino)-1-(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone?
The canonical SMILES for 2-(2-aminoethylamino)-1-(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone is CC(C)(C)C1CCc2nc3sc(C(=O)CNCCN)cc3cc2C1.
What is the InChIKey of 2-(2-aminoethylamino)-1-(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone?
The InChIKey is JSAKYJCQEHJDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3OS/c1-19(2,3)14-4-5-15-12(9-14)8-13-10-17(24-18(13)22-15)16(23)11-21-7-6-20/h8,10,14,21H,4-7,9,11,20H2,1-3H3.
What are the key properties of 2-(2-aminoethylamino)-1-(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone?
2-(2-aminoethylamino)-1-(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone has a molecular weight of 345.51 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-1-(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone is sourced from PubChem (CID 143292446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).