butyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate

C20H22N2O3S — CID 4521595

IUPACbutyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
SMILESCCCCOC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCCC3
InChIInChI=1S/C20H22N2O3S/c1-2-3-10-25-20(23)18-17(21)16-15(14-9-6-11-24-14)12-7-4-5-8-13(12)22-19(16)26-18/h6,9,11H,2-5,7-8,10,21H2,1H3
InChIKeyBMNCHHGKVBOGNF-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.97
Rot. Bonds5

About butyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate

butyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate (PubChem CID 4521595) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is butyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate.

Molecular Properties

Compound Namebutyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
PubChem CID4521595
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Namebutyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
SMILESCCCCOC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCCC3
InChIInChI=1S/C20H22N2O3S/c1-2-3-10-25-20(23)18-17(21)16-15(14-9-6-11-24-14)12-7-4-5-8-13(12)22-19(16)26-18/h6,9,11H,2-5,7-8,10,21H2,1H3
InChIKeyBMNCHHGKVBOGNF-UHFFFAOYSA-N
XLogP4.97
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
CID 1069989
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
3-amino-N-(2,5-dimethylphenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1042903
methyl 3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
CID 827712
benzyl 3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
CID 5167661
propyl 6-amino-8-(4-chlorophenyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxylate
CID 4521248
ethyl 3-amino-4-(4-bromophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
CID 1390732
ethyl 3-amino-4-(furan-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 10756767
[3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,4,5-trimethylphenyl)methanone
CID 5136586
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
ethyl 1-amino-5-propyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
CID 914223
3-amino-4-(2,5-dimethoxyphenyl)-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 139210820

Frequently Asked Questions

What is the IUPAC name of butyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate?
The IUPAC name of butyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate (CID 4521595) is butyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate.
What is the SMILES notation for butyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate?
The canonical SMILES for butyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate is CCCCOC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCCC3.
What is the InChIKey of butyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate?
The InChIKey is BMNCHHGKVBOGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-2-3-10-25-20(23)18-17(21)16-15(14-9-6-11-24-14)12-7-4-5-8-13(12)22-19(16)26-18/h6,9,11H,2-5,7-8,10,21H2,1H3.
What are the key properties of butyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate?
butyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate has a molecular weight of 370.47 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate is sourced from PubChem (CID 4521595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).