3-amino-N-(furan-2-ylmethyl)-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide

C19H17N3O4S — CID 648385

IUPAC3-amino-N-(furan-2-ylmethyl)-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1cc2cc3c(N)c(C(=O)NCc4ccco4)sc3nc2cc1OC
InChIInChI=1S/C19H17N3O4S/c1-24-14-7-10-6-12-16(20)17(18(23)21-9-11-4-3-5-26-11)27-19(12)22-13(10)8-15(14)25-2/h3-8H,9,20H2,1-2H3,(H,21,23)
InChIKeyWAANUEYASRSDIK-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.57
Rot. Bonds5

About 3-amino-N-(furan-2-ylmethyl)-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide

3-amino-N-(furan-2-ylmethyl)-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide (PubChem CID 648385) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is 3-amino-N-(furan-2-ylmethyl)-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(furan-2-ylmethyl)-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide
PubChem CID648385
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Name3-amino-N-(furan-2-ylmethyl)-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1cc2cc3c(N)c(C(=O)NCc4ccco4)sc3nc2cc1OC
InChIInChI=1S/C19H17N3O4S/c1-24-14-7-10-6-12-16(20)17(18(23)21-9-11-4-3-5-26-11)27-19(12)22-13(10)8-15(14)25-2/h3-8H,9,20H2,1-2H3,(H,21,23)
InChIKeyWAANUEYASRSDIK-UHFFFAOYSA-N
XLogP3.57
TPSA99.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-Amino-N-(2-furanylmethyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide
CID 734374
3-Amino-6-ethoxythiopheno[2,3-b]quinolin-2-yl morpholin-4-yl ketone
CID 1164074
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1301824
3-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]-N-methylpropanamide
CID 118613628
3-amino-6-(3,4-dimethoxyphenyl)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1086445
(3-Amino-7-methoxy-thieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-yl-methanone
CID 646704
3-amino-N-(furan-2-ylmethyl)-7-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 648100
2-(7-Ethyl-[1,3]dioxolo[4,5-g]quinolin-6-ylsulfanyl)-1-[4-(furan-2-carbonyl)-piperazin-1-yl]-ethanone
CID 651100
(3-Amino-6-ethoxy-thieno[2,3-b]quinolin-2-yl)-(4-methyl-piperazin-1-yl)-methanone
CID 655631
N-(furan-2-ylmethyl)-2-(5,5,13-trimethyl-15-oxo-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12-pentaen-14-yl)acetamide
CID 663733
3-amino-6-(furan-2-yl)-N-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 667115
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 3-amino-N-(furan-2-ylmethyl)-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-N-(furan-2-ylmethyl)-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide (CID 648385) is 3-amino-N-(furan-2-ylmethyl)-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-N-(furan-2-ylmethyl)-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-N-(furan-2-ylmethyl)-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide is COc1cc2cc3c(N)c(C(=O)NCc4ccco4)sc3nc2cc1OC.
What is the InChIKey of 3-amino-N-(furan-2-ylmethyl)-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is WAANUEYASRSDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-24-14-7-10-6-12-16(20)17(18(23)21-9-11-4-3-5-26-11)27-19(12)22-13(10)8-15(14)25-2/h3-8H,9,20H2,1-2H3,(H,21,23).
What are the key properties of 3-amino-N-(furan-2-ylmethyl)-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide?
3-amino-N-(furan-2-ylmethyl)-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(furan-2-ylmethyl)-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 648385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).