7-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide

C18H14N2OS2 — CID 3628116

IUPAC7-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccc2cc3cc(C(=O)NCc4cccs4)sc3nc2c1
InChIInChI=1S/C18H14N2OS2/c1-11-4-5-12-8-13-9-16(23-18(13)20-15(12)7-11)17(21)19-10-14-3-2-6-22-14/h2-9H,10H2,1H3,(H,19,21)
InChIKeyHHMCSONSBGSDKQ-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.75
Rot. Bonds3

About 7-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide

7-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide (PubChem CID 3628116) has the molecular formula C18H14N2OS2 and a molecular weight of 338.46 g/mol. Its IUPAC name is 7-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide
PubChem CID3628116
Molecular FormulaC18H14N2OS2
Molecular Weight338.46 g/mol
Exact Mass338.05
IUPAC Name7-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccc2cc3cc(C(=O)NCc4cccs4)sc3nc2c1
InChIInChI=1S/C18H14N2OS2/c1-11-4-5-12-8-13-9-16(23-18(13)20-15(12)7-11)17(21)19-10-14-3-2-6-22-14/h2-9H,10H2,1H3,(H,19,21)
InChIKeyHHMCSONSBGSDKQ-UHFFFAOYSA-N
XLogP4.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide
CID 3627109
7-methyl-N-(3-methylbutyl)thieno[2,3-b]quinoline-2-carboxamide
CID 3628117
7-methylthieno[2,3-b]quinoline-2-carboxylate
CID 4126375
ethyl 7-methylthieno[2,3-b]quinoline-2-carboxylate
CID 778240
4,5-dichloro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 110186920
5-methyl-N-(thiophen-2-ylmethyl)-1H-indazole-3-carboxamide
CID 78859110
N-(2,5-dimethoxyphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide
CID 15990436
2,5-dimethyl-N-(thiophen-2-ylmethyl)-1H-imidazole-4-carboxamide
CID 126820136
5-methyl-2-(propylamino)-N-(thiophen-2-ylmethyl)benzamide
CID 62510534
5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide
CID 2801009
6-methoxy-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]quinoline-2-carboxamide
CID 15995302
5,5-dioxo-N-(thiophen-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
CID 3238829

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 7-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide (CID 3628116) is 7-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 7-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 7-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide is Cc1ccc2cc3cc(C(=O)NCc4cccs4)sc3nc2c1.
What is the InChIKey of 7-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is HHMCSONSBGSDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2OS2/c1-11-4-5-12-8-13-9-16(23-18(13)20-15(12)7-11)17(21)19-10-14-3-2-6-22-14/h2-9H,10H2,1H3,(H,19,21).
What are the key properties of 7-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide?
7-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 3628116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).