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

C18H15N3O2S — CID 865562

IUPAC3-amino-N-(furan-2-ylmethyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccc2nc3sc(C(=O)NCc4ccco4)c(N)c3cc2c1
InChIInChI=1S/C18H15N3O2S/c1-10-4-5-14-11(7-10)8-13-15(19)16(24-18(13)21-14)17(22)20-9-12-3-2-6-23-12/h2-8H,9,19H2,1H3,(H,20,22)
InChIKeyNVNWOBGBTSHUKY-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.86
Rot. Bonds3

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

3-amino-N-(furan-2-ylmethyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide (PubChem CID 865562) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-amino-N-(furan-2-ylmethyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(furan-2-ylmethyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide
PubChem CID865562
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name3-amino-N-(furan-2-ylmethyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccc2nc3sc(C(=O)NCc4ccco4)c(N)c3cc2c1
InChIInChI=1S/C18H15N3O2S/c1-10-4-5-14-11(7-10)8-13-15(19)16(24-18(13)21-14)17(22)20-9-12-3-2-6-23-12/h2-8H,9,19H2,1H3,(H,20,22)
InChIKeyNVNWOBGBTSHUKY-UHFFFAOYSA-N
XLogP3.86
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(furan-2-ylmethyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-N-(furan-2-ylmethyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide (CID 865562) is 3-amino-N-(furan-2-ylmethyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-N-(furan-2-ylmethyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-N-(furan-2-ylmethyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide is Cc1ccc2nc3sc(C(=O)NCc4ccco4)c(N)c3cc2c1.
What is the InChIKey of 3-amino-N-(furan-2-ylmethyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is NVNWOBGBTSHUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-10-4-5-14-11(7-10)8-13-15(19)16(24-18(13)21-14)17(22)20-9-12-3-2-6-23-12/h2-8H,9,19H2,1H3,(H,20,22).
What are the key properties of 3-amino-N-(furan-2-ylmethyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide?
3-amino-N-(furan-2-ylmethyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(furan-2-ylmethyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 865562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).