3-amino-4-ethyl-N-(furan-2-ylmethyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide

C21H23N3O3S — CID 1179247

IUPAC3-amino-4-ethyl-N-(furan-2-ylmethyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCCc1c2c(nc3sc(C(=O)NCc4ccco4)c(N)c13)CC(C)(C)CC2=O
InChIInChI=1S/C21H23N3O3S/c1-4-12-15-13(8-21(2,3)9-14(15)25)24-20-16(12)17(22)18(28-20)19(26)23-10-11-6-5-7-27-11/h5-7H,4,8-10,22H2,1-3H3,(H,23,26)
InChIKeyDLXYLGBLNBDDQU-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.12
Rot. Bonds4

About 3-amino-4-ethyl-N-(furan-2-ylmethyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide

3-amino-4-ethyl-N-(furan-2-ylmethyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 1179247) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 3-amino-4-ethyl-N-(furan-2-ylmethyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-ethyl-N-(furan-2-ylmethyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide
PubChem CID1179247
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name3-amino-4-ethyl-N-(furan-2-ylmethyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCCc1c2c(nc3sc(C(=O)NCc4ccco4)c(N)c13)CC(C)(C)CC2=O
InChIInChI=1S/C21H23N3O3S/c1-4-12-15-13(8-21(2,3)9-14(15)25)24-20-16(12)17(22)18(28-20)19(26)23-10-11-6-5-7-27-11/h5-7H,4,8-10,22H2,1-3H3,(H,23,26)
InChIKeyDLXYLGBLNBDDQU-UHFFFAOYSA-N
XLogP4.12
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-4-ethyl-N-(furan-2-ylmethyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide with MolForge

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Related Compounds

3-amino-N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide
CID 1278663
N-(furan-2-ylmethyl)-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 39084661
4-(diethylamino)-N-(furan-2-ylmethyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 15995991
1-amino-N-(furan-2-ylmethyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 661594
3-amino-N-(furan-2-ylmethyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide
CID 865148
3-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide
CID 2241222
2-(aminomethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 82119492
3-amino-N-(1,3-benzodioxol-5-ylmethyl)-4-(furan-2-yl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 23476263
N-(furan-2-ylmethyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 53085411
N-(furan-2-ylmethyl)-7,7-dimethyl-6-oxo-5H-cyclopenta[b]pyridine-3-carboxamide
CID 159362308
4-amino-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116667583
6-amino-N-(2-ethylphenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide
CID 1314962

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethyl-N-(furan-2-ylmethyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-4-ethyl-N-(furan-2-ylmethyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide (CID 1179247) is 3-amino-4-ethyl-N-(furan-2-ylmethyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-4-ethyl-N-(furan-2-ylmethyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-4-ethyl-N-(furan-2-ylmethyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide is CCc1c2c(nc3sc(C(=O)NCc4ccco4)c(N)c13)CC(C)(C)CC2=O.
What is the InChIKey of 3-amino-4-ethyl-N-(furan-2-ylmethyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is DLXYLGBLNBDDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-4-12-15-13(8-21(2,3)9-14(15)25)24-20-16(12)17(22)18(28-20)19(26)23-10-11-6-5-7-27-11/h5-7H,4,8-10,22H2,1-3H3,(H,23,26).
What are the key properties of 3-amino-4-ethyl-N-(furan-2-ylmethyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide?
3-amino-4-ethyl-N-(furan-2-ylmethyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethyl-N-(furan-2-ylmethyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 1179247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).