8-methyl-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide

C24H24N2OS — CID 50776788

IUPAC8-methyl-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide
SMILESCc1ccc2ncc3c(-c4ccccc4)c(C(=O)NCCC(C)C)sc3c2c1
InChIInChI=1S/C24H24N2OS/c1-15(2)11-12-25-24(27)23-21(17-7-5-4-6-8-17)19-14-26-20-10-9-16(3)13-18(20)22(19)28-23/h4-10,13-15H,11-12H2,1-3H3,(H,25,27)
InChIKeyJOJFFOBRJQOIJI-UHFFFAOYSA-N
MW388.54 g/mol
LogP6.20
Rot. Bonds5

About 8-methyl-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide

8-methyl-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide (PubChem CID 50776788) has the molecular formula C24H24N2OS and a molecular weight of 388.54 g/mol. Its IUPAC name is 8-methyl-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name8-methyl-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide
PubChem CID50776788
Molecular FormulaC24H24N2OS
Molecular Weight388.54 g/mol
Exact Mass388.16
IUPAC Name8-methyl-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide
SMILESCc1ccc2ncc3c(-c4ccccc4)c(C(=O)NCCC(C)C)sc3c2c1
InChIInChI=1S/C24H24N2OS/c1-15(2)11-12-25-24(27)23-21(17-7-5-4-6-8-17)19-14-26-20-10-9-16(3)13-18(20)22(19)28-23/h4-10,13-15H,11-12H2,1-3H3,(H,25,27)
InChIKeyJOJFFOBRJQOIJI-UHFFFAOYSA-N
XLogP6.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.54
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 8-methyl-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide (CID 50776788) is 8-methyl-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 8-methyl-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 8-methyl-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide is Cc1ccc2ncc3c(-c4ccccc4)c(C(=O)NCCC(C)C)sc3c2c1.
What is the InChIKey of 8-methyl-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is JOJFFOBRJQOIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2OS/c1-15(2)11-12-25-24(27)23-21(17-7-5-4-6-8-17)19-14-26-20-10-9-16(3)13-18(20)22(19)28-23/h4-10,13-15H,11-12H2,1-3H3,(H,25,27).
What are the key properties of 8-methyl-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
8-methyl-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 388.54 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 50776788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).