3-amino-N,N-diethyl-6,8-dimethylthieno[2,3-b]quinoline-2-carboxamide

C18H21N3OS — CID 1442795

IUPAC3-amino-N,N-diethyl-6,8-dimethylthieno[2,3-b]quinoline-2-carboxamide
SMILESCCN(CC)C(=O)c1sc2nc3c(C)cc(C)cc3cc2c1N
InChIInChI=1S/C18H21N3OS/c1-5-21(6-2)18(22)16-14(19)13-9-12-8-10(3)7-11(4)15(12)20-17(13)23-16/h7-9H,5-6,19H2,1-4H3
InChIKeyLXSTZUXARCIHBJ-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.13
Rot. Bonds3

About 3-amino-N,N-diethyl-6,8-dimethylthieno[2,3-b]quinoline-2-carboxamide

3-amino-N,N-diethyl-6,8-dimethylthieno[2,3-b]quinoline-2-carboxamide (PubChem CID 1442795) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 3-amino-N,N-diethyl-6,8-dimethylthieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N,N-diethyl-6,8-dimethylthieno[2,3-b]quinoline-2-carboxamide
PubChem CID1442795
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name3-amino-N,N-diethyl-6,8-dimethylthieno[2,3-b]quinoline-2-carboxamide
SMILESCCN(CC)C(=O)c1sc2nc3c(C)cc(C)cc3cc2c1N
InChIInChI=1S/C18H21N3OS/c1-5-21(6-2)18(22)16-14(19)13-9-12-8-10(3)7-11(4)15(12)20-17(13)23-16/h7-9H,5-6,19H2,1-4H3
InChIKeyLXSTZUXARCIHBJ-UHFFFAOYSA-N
XLogP4.13
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Morpholinylcarbonyl)-5,6,7,8-tetrahydrothieno(2,3-B)quinolin-3-amine
CID 615872
3-Amino-N-(2,3-dimethylphenyl)-6,7-dihydro-5H-cyclopenta[B]thieno[3,2-E]pyridine-2-carboxamide
CID 612420
3-amino-N-(3,4-dimethylphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 798344
2-(1-Piperidinylcarbonyl)-5,6,7,8-tetrahydrothieno(2,3-B)quinolin-3-amine
CID 697512
6-Phenyl-2-(pyrrolidine-1-carbonyl)thieno(2,3-b)pyridin-3-amine
CID 3726387
3-Amino-N-(2,3-DI-ME-PH)-5,6,7,8-tetrahydrothieno(2,3-B)quinoline-2-carboxamide
CID 615708
(3-Amino-5,6,7,8-tetrahydrothieno(2,3-B)quinolin-2-YL)(phenyl)methanone
CID 716890
2-(4-Morpholinylcarbonyl)-6,7,8,9-tetrahydro-5H-cyclohepta[B]thieno[3,2-E]pyridin-3-amine
CID 671405
3-Amino-N-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[B]thieno[3,2-E]pyridine-2-carboxamide
CID 1023422
3-amino-5-oxo-N-(m-tolyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1322520
3-Amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734373
8,10-dimethyl-4-(4-methylphenyl)-3,4-dihydro-1H-pyrido[3',2':4,5]thieno[3,2-e][1,4]diazepine-2,5-dione
CID 2816682

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-diethyl-6,8-dimethylthieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-N,N-diethyl-6,8-dimethylthieno[2,3-b]quinoline-2-carboxamide (CID 1442795) is 3-amino-N,N-diethyl-6,8-dimethylthieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-N,N-diethyl-6,8-dimethylthieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-N,N-diethyl-6,8-dimethylthieno[2,3-b]quinoline-2-carboxamide is CCN(CC)C(=O)c1sc2nc3c(C)cc(C)cc3cc2c1N.
What is the InChIKey of 3-amino-N,N-diethyl-6,8-dimethylthieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is LXSTZUXARCIHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-5-21(6-2)18(22)16-14(19)13-9-12-8-10(3)7-11(4)15(12)20-17(13)23-16/h7-9H,5-6,19H2,1-4H3.
What are the key properties of 3-amino-N,N-diethyl-6,8-dimethylthieno[2,3-b]quinoline-2-carboxamide?
3-amino-N,N-diethyl-6,8-dimethylthieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 327.45 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-diethyl-6,8-dimethylthieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 1442795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).