3-amino-N-(3,4-dimethylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide

C20H19N3O2S — CID 1386900

IUPAC3-amino-N-(3,4-dimethylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C(=O)CCC4)cc1C
InChIInChI=1S/C20H19N3O2S/c1-10-6-7-12(8-11(10)2)22-19(25)18-17(21)14-9-13-15(23-20(14)26-18)4-3-5-16(13)24/h6-9H,3-5,21H2,1-2H3,(H,22,25)
InChIKeyDDPBRBGWSNFVGT-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.27
Rot. Bonds2

About 3-amino-N-(3,4-dimethylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide

3-amino-N-(3,4-dimethylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide (PubChem CID 1386900) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 3-amino-N-(3,4-dimethylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dimethylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
PubChem CID1386900
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name3-amino-N-(3,4-dimethylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C(=O)CCC4)cc1C
InChIInChI=1S/C20H19N3O2S/c1-10-6-7-12(8-11(10)2)22-19(25)18-17(21)14-9-13-15(23-20(14)26-18)4-3-5-16(13)24/h6-9H,3-5,21H2,1-2H3,(H,22,25)
InChIKeyDDPBRBGWSNFVGT-UHFFFAOYSA-N
XLogP4.27
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-(3,4-dimethylphenyl)-5-oxo-7,8-dihydro-6H-thieno[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-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734373
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
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
3-Amino-N-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[B]thieno[3,2-E]pyridine-2-carboxamide
CID 1023422
(3-Amino-6-methylthieno[2,3-b]pyridin-2-yl)(phenyl)methanone
CID 689408
1-(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone
CID 698121

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dimethylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-N-(3,4-dimethylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide (CID 1386900) is 3-amino-N-(3,4-dimethylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3,4-dimethylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-N-(3,4-dimethylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide is Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C(=O)CCC4)cc1C.
What is the InChIKey of 3-amino-N-(3,4-dimethylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is DDPBRBGWSNFVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-10-6-7-12(8-11(10)2)22-19(25)18-17(21)14-9-13-15(23-20(14)26-18)4-3-5-16(13)24/h6-9H,3-5,21H2,1-2H3,(H,22,25).
What are the key properties of 3-amino-N-(3,4-dimethylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide?
3-amino-N-(3,4-dimethylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 4.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dimethylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 1386900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).