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

C20H21N3OS — CID 615708

IUPAC3-amino-N-(2,3-dimethylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCc1cccc(NC(=O)c2sc3nc4c(cc3c2N)CCCC4)c1C
InChIInChI=1S/C20H21N3OS/c1-11-6-5-9-15(12(11)2)22-19(24)18-17(21)14-10-13-7-3-4-8-16(13)23-20(14)25-18/h5-6,9-10H,3-4,7-8,21H2,1-2H3,(H,22,24)
InChIKeyGEFUAQZKOGKQLC-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.63
Rot. Bonds2

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

3-amino-N-(2,3-dimethylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 615708) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 3-amino-N-(2,3-dimethylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,3-dimethylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
PubChem CID615708
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name3-amino-N-(2,3-dimethylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCc1cccc(NC(=O)c2sc3nc4c(cc3c2N)CCCC4)c1C
InChIInChI=1S/C20H21N3OS/c1-11-6-5-9-15(12(11)2)22-19(24)18-17(21)14-10-13-7-3-4-8-16(13)23-20(14)25-18/h5-6,9-10H,3-4,7-8,21H2,1-2H3,(H,22,24)
InChIKeyGEFUAQZKOGKQLC-UHFFFAOYSA-N
XLogP4.63
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-(2,3-dimethylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide with MolForge

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Related Compounds

(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)phenylmethanone
CID 683024
3-Amino-N-(2,3-dimethylphenyl)-6,7-dihydro-5H-cyclopenta[B]thieno[3,2-E]pyridine-2-carboxamide
CID 612420
3-amino-N-(4-fluorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 712295
3-amino-N-(3,4-dimethylphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 798344
3-amino-N-(4-fluorophenyl)-4-phenyl-6-(2-thienyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1772579
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-5,6,7,8-tetrahydrothieno(2,3-B)quinolin-2-YL)(phenyl)methanone
CID 716890
3-Amino-N-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[B]thieno[3,2-E]pyridine-2-carboxamide
CID 1023422
3-Amino-N-(4-fluorophenyl)-6-(2-thienyl)-4-(trifluoromethyl)thieno(2,3-B)pyridine-2-carboxamide
CID 5175738
(3-Amino-6-methylthieno[2,3-b]pyridin-2-yl)(phenyl)methanone
CID 689408
3-Amino-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide
CID 613528

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3-dimethylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-N-(2,3-dimethylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CID 615708) is 3-amino-N-(2,3-dimethylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2,3-dimethylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-N-(2,3-dimethylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is Cc1cccc(NC(=O)c2sc3nc4c(cc3c2N)CCCC4)c1C.
What is the InChIKey of 3-amino-N-(2,3-dimethylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is GEFUAQZKOGKQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-11-6-5-9-15(12(11)2)22-19(24)18-17(21)14-10-13-7-3-4-8-16(13)23-20(14)25-18/h5-6,9-10H,3-4,7-8,21H2,1-2H3,(H,22,24).
What are the key properties of 3-amino-N-(2,3-dimethylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
3-amino-N-(2,3-dimethylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 351.48 g/mol, XLogP of 4.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3-dimethylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 615708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).