7-methyl-N-propan-2-ylthieno[2,3-b]quinoline-2-carboxamide

C16H16N2OS — CID 3625962

IUPAC7-methyl-N-propan-2-ylthieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccc2cc3cc(C(=O)NC(C)C)sc3nc2c1
InChIInChI=1S/C16H16N2OS/c1-9(2)17-15(19)14-8-12-7-11-5-4-10(3)6-13(11)18-16(12)20-14/h4-9H,1-3H3,(H,17,19)
InChIKeyGJUIPVGVTYUWDY-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.90
Rot. Bonds2

About 7-methyl-N-propan-2-ylthieno[2,3-b]quinoline-2-carboxamide

7-methyl-N-propan-2-ylthieno[2,3-b]quinoline-2-carboxamide (PubChem CID 3625962) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 7-methyl-N-propan-2-ylthieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-propan-2-ylthieno[2,3-b]quinoline-2-carboxamide
PubChem CID3625962
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name7-methyl-N-propan-2-ylthieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccc2cc3cc(C(=O)NC(C)C)sc3nc2c1
InChIInChI=1S/C16H16N2OS/c1-9(2)17-15(19)14-8-12-7-11-5-4-10(3)6-13(11)18-16(12)20-14/h4-9H,1-3H3,(H,17,19)
InChIKeyGJUIPVGVTYUWDY-UHFFFAOYSA-N
XLogP3.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-propan-2-ylthieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 7-methyl-N-propan-2-ylthieno[2,3-b]quinoline-2-carboxamide (CID 3625962) is 7-methyl-N-propan-2-ylthieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 7-methyl-N-propan-2-ylthieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 7-methyl-N-propan-2-ylthieno[2,3-b]quinoline-2-carboxamide is Cc1ccc2cc3cc(C(=O)NC(C)C)sc3nc2c1.
What is the InChIKey of 7-methyl-N-propan-2-ylthieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is GJUIPVGVTYUWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-9(2)17-15(19)14-8-12-7-11-5-4-10(3)6-13(11)18-16(12)20-14/h4-9H,1-3H3,(H,17,19).
What are the key properties of 7-methyl-N-propan-2-ylthieno[2,3-b]quinoline-2-carboxamide?
7-methyl-N-propan-2-ylthieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-propan-2-ylthieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 3625962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).