3-amino-N-(furan-2-ylmethyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide

C18H15N3O2S — CID 865148

IUPAC3-amino-N-(furan-2-ylmethyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide
SMILESCc1cccc2cc3c(N)c(C(=O)NCc4ccco4)sc3nc12
InChIInChI=1S/C18H15N3O2S/c1-10-4-2-5-11-8-13-14(19)16(24-18(13)21-15(10)11)17(22)20-9-12-6-3-7-23-12/h2-8H,9,19H2,1H3,(H,20,22)
InChIKeyWOISBFQNVKMRTR-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.86
Rot. Bonds3

About 3-amino-N-(furan-2-ylmethyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide

3-amino-N-(furan-2-ylmethyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide (PubChem CID 865148) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-amino-N-(furan-2-ylmethyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(furan-2-ylmethyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide
PubChem CID865148
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name3-amino-N-(furan-2-ylmethyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide
SMILESCc1cccc2cc3c(N)c(C(=O)NCc4ccco4)sc3nc12
InChIInChI=1S/C18H15N3O2S/c1-10-4-2-5-11-8-13-14(19)16(24-18(13)21-15(10)11)17(22)20-9-12-6-3-7-23-12/h2-8H,9,19H2,1H3,(H,20,22)
InChIKeyWOISBFQNVKMRTR-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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Related Compounds

3-amino-8-methyl-N-(5-methyl-1,3-thiazol-2-yl)thieno[2,3-b]quinoline-2-carboxamide
CID 1374556
2-amino-N-(furan-2-ylmethyl)-6-methylbenzamide
CID 16782827
3-amino-N-(2,4-dimethoxyphenyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide
CID 1207174
2-(aminomethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 82119492
5-amino-N-(furan-2-ylmethyl)-2-methylbenzamide
CID 61290383
N-(furan-2-ylmethyl)-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 17373004
3-amino-7-methyl-N-[(5-methylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 107113004
N-(furan-2-ylmethyl)-5-methyl-1,3-thiazole-2-carboxamide
CID 70669405
N-(furan-2-ylmethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8868004
N-(furan-2-ylmethyl)-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 39084661
N-(furan-2-ylmethyl)-4-methylthiadiazole-5-carboxamide
CID 7576752
N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 110696290

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(furan-2-ylmethyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-N-(furan-2-ylmethyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide (CID 865148) is 3-amino-N-(furan-2-ylmethyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-N-(furan-2-ylmethyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-N-(furan-2-ylmethyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide is Cc1cccc2cc3c(N)c(C(=O)NCc4ccco4)sc3nc12.
What is the InChIKey of 3-amino-N-(furan-2-ylmethyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is WOISBFQNVKMRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-10-4-2-5-11-8-13-14(19)16(24-18(13)21-15(10)11)17(22)20-9-12-6-3-7-23-12/h2-8H,9,19H2,1H3,(H,20,22).
What are the key properties of 3-amino-N-(furan-2-ylmethyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide?
3-amino-N-(furan-2-ylmethyl)-8-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)-8-methylthieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 865148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).