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

C18H15N3O3S — CID 648100

IUPAC3-amino-N-(furan-2-ylmethyl)-7-methoxythieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc2cc3c(N)c(C(=O)NCc4ccco4)sc3nc2c1
InChIInChI=1S/C18H15N3O3S/c1-23-11-5-4-10-7-13-15(19)16(25-18(13)21-14(10)8-11)17(22)20-9-12-3-2-6-24-12/h2-8H,9,19H2,1H3,(H,20,22)
InChIKeyJVYXBGSRHGYTMW-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.56
Rot. Bonds4

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

3-amino-N-(furan-2-ylmethyl)-7-methoxythieno[2,3-b]quinoline-2-carboxamide (PubChem CID 648100) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is 3-amino-N-(furan-2-ylmethyl)-7-methoxythieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(furan-2-ylmethyl)-7-methoxythieno[2,3-b]quinoline-2-carboxamide
PubChem CID648100
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Name3-amino-N-(furan-2-ylmethyl)-7-methoxythieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc2cc3c(N)c(C(=O)NCc4ccco4)sc3nc2c1
InChIInChI=1S/C18H15N3O3S/c1-23-11-5-4-10-7-13-15(19)16(25-18(13)21-14(10)8-11)17(22)20-9-12-3-2-6-24-12/h2-8H,9,19H2,1H3,(H,20,22)
InChIKeyJVYXBGSRHGYTMW-UHFFFAOYSA-N
XLogP3.56
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

VU0152100
CID 864492
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
1-[3-Amino-6-(furan-2-yl)thieno[2,3-b]pyridin-2-yl]ethanone
CID 930267
7H-9-Thia-1,5,6,7-tetraazafluoren-8-one, 7-furan-2-ylmethyl-4-methoxymethyl-2-methyl-
CID 714434
3-amino-N-(3-ethoxyphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1004107
N-(4-acetylphenyl)-3-amino-7-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 1015041
2-ethyl-3-(2-furylmethyl)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
CID 1416241
3-amino-N-(4-bromophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 1860843
3-Amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 1391336
(3-Amino-7-methoxy-thieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-yl-methanone
CID 646704
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(furan-2-ylmethyl)-7-methoxythieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-N-(furan-2-ylmethyl)-7-methoxythieno[2,3-b]quinoline-2-carboxamide (CID 648100) is 3-amino-N-(furan-2-ylmethyl)-7-methoxythieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-N-(furan-2-ylmethyl)-7-methoxythieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-N-(furan-2-ylmethyl)-7-methoxythieno[2,3-b]quinoline-2-carboxamide is COc1ccc2cc3c(N)c(C(=O)NCc4ccco4)sc3nc2c1.
What is the InChIKey of 3-amino-N-(furan-2-ylmethyl)-7-methoxythieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is JVYXBGSRHGYTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-23-11-5-4-10-7-13-15(19)16(25-18(13)21-14(10)8-11)17(22)20-9-12-3-2-6-24-12/h2-8H,9,19H2,1H3,(H,20,22).
What are the key properties of 3-amino-N-(furan-2-ylmethyl)-7-methoxythieno[2,3-b]quinoline-2-carboxamide?
3-amino-N-(furan-2-ylmethyl)-7-methoxythieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(furan-2-ylmethyl)-7-methoxythieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 648100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).