(8E)-3-amino-4-(furan-3-yl)-8-(furan-3-ylmethylidene)-6,6-dimethyl-5,7-dihydrothieno[2,3-b]quinoline-2-carboxamide

C23H21N3O3S — CID 118219016

IUPAC(8E)-3-amino-4-(furan-3-yl)-8-(furan-3-ylmethylidene)-6,6-dimethyl-5,7-dihydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCC1(C)C/C(=C\c2ccoc2)c2nc3sc(C(N)=O)c(N)c3c(-c3ccoc3)c2C1
InChIInChI=1S/C23H21N3O3S/c1-23(2)8-14(7-12-3-5-28-10-12)19-15(9-23)16(13-4-6-29-11-13)17-18(24)20(21(25)27)30-22(17)26-19/h3-7,10-11H,8-9,24H2,1-2H3,(H2,25,27)/b14-7+
InChIKeyZORXWTVRUXAFQW-VGOFMYFVSA-N
MW419.51 g/mol
LogP5.34
Rot. Bonds3

About (8E)-3-amino-4-(furan-3-yl)-8-(furan-3-ylmethylidene)-6,6-dimethyl-5,7-dihydrothieno[2,3-b]quinoline-2-carboxamide

(8E)-3-amino-4-(furan-3-yl)-8-(furan-3-ylmethylidene)-6,6-dimethyl-5,7-dihydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 118219016) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is (8E)-3-amino-4-(furan-3-yl)-8-(furan-3-ylmethylidene)-6,6-dimethyl-5,7-dihydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name(8E)-3-amino-4-(furan-3-yl)-8-(furan-3-ylmethylidene)-6,6-dimethyl-5,7-dihydrothieno[2,3-b]quinoline-2-carboxamide
PubChem CID118219016
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC Name(8E)-3-amino-4-(furan-3-yl)-8-(furan-3-ylmethylidene)-6,6-dimethyl-5,7-dihydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCC1(C)C/C(=C\c2ccoc2)c2nc3sc(C(N)=O)c(N)c3c(-c3ccoc3)c2C1
InChIInChI=1S/C23H21N3O3S/c1-23(2)8-14(7-12-3-5-28-10-12)19-15(9-23)16(13-4-6-29-11-13)17-18(24)20(21(25)27)30-22(17)26-19/h3-7,10-11H,8-9,24H2,1-2H3,(H2,25,27)/b14-7+
InChIKeyZORXWTVRUXAFQW-VGOFMYFVSA-N
XLogP5.34
TPSA108.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.51
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (8E)-3-amino-4-(furan-3-yl)-8-(furan-3-ylmethylidene)-6,6-dimethyl-5,7-dihydrothieno[2,3-b]quinoline-2-carboxamide with MolForge

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Related Compounds

3-Amino-4-(2-furanyl)-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]thieno[3,2-e]pyridine-2-carboxamide
CID 46830215
1-[3-Amino-6-(furan-2-yl)thieno[2,3-b]pyridin-2-yl]ethanone
CID 930267
3-amino-4-(furan-2-yl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
CID 893110
3-Amino-4-furan-2-yl-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxylic acid p-tolylamide
CID 1829266
3-Amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 1391336
(3-Amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridin-2-yl)(4-fluorophenyl)methanone
CID 1415611
3-Amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
CID 658080
ethyl 1-amino-5-(furan-2-yl)-8,8-dimethyl-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate
CID 663620
3-amino-N-(4-fluorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 666567
3-amino-6-(furan-2-yl)-N-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 667115
Methyl 3-amino-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxylate
CID 667277
3-amino-N-(furan-2-ylmethyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide
CID 865562

Frequently Asked Questions

What is the IUPAC name of (8E)-3-amino-4-(furan-3-yl)-8-(furan-3-ylmethylidene)-6,6-dimethyl-5,7-dihydrothieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of (8E)-3-amino-4-(furan-3-yl)-8-(furan-3-ylmethylidene)-6,6-dimethyl-5,7-dihydrothieno[2,3-b]quinoline-2-carboxamide (CID 118219016) is (8E)-3-amino-4-(furan-3-yl)-8-(furan-3-ylmethylidene)-6,6-dimethyl-5,7-dihydrothieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for (8E)-3-amino-4-(furan-3-yl)-8-(furan-3-ylmethylidene)-6,6-dimethyl-5,7-dihydrothieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for (8E)-3-amino-4-(furan-3-yl)-8-(furan-3-ylmethylidene)-6,6-dimethyl-5,7-dihydrothieno[2,3-b]quinoline-2-carboxamide is CC1(C)C/C(=C\c2ccoc2)c2nc3sc(C(N)=O)c(N)c3c(-c3ccoc3)c2C1.
What is the InChIKey of (8E)-3-amino-4-(furan-3-yl)-8-(furan-3-ylmethylidene)-6,6-dimethyl-5,7-dihydrothieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is ZORXWTVRUXAFQW-VGOFMYFVSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-23(2)8-14(7-12-3-5-28-10-12)19-15(9-23)16(13-4-6-29-11-13)17-18(24)20(21(25)27)30-22(17)26-19/h3-7,10-11H,8-9,24H2,1-2H3,(H2,25,27)/b14-7+.
What are the key properties of (8E)-3-amino-4-(furan-3-yl)-8-(furan-3-ylmethylidene)-6,6-dimethyl-5,7-dihydrothieno[2,3-b]quinoline-2-carboxamide?
(8E)-3-amino-4-(furan-3-yl)-8-(furan-3-ylmethylidene)-6,6-dimethyl-5,7-dihydrothieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 5.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-3-amino-4-(furan-3-yl)-8-(furan-3-ylmethylidene)-6,6-dimethyl-5,7-dihydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 118219016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).