N-cyclohexyl-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide

C20H22N2O2S — CID 6622955

IUPACN-cyclohexyl-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
SMILESCc1ccc2[nH]c(=O)c3cc(C(=O)N(C)C4CCCCC4)sc3c2c1
InChIInChI=1S/C20H22N2O2S/c1-12-8-9-16-14(10-12)18-15(19(23)21-16)11-17(25-18)20(24)22(2)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,21,23)
InChIKeyWYTNRDHHCWRRKB-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.46
Rot. Bonds2

About N-cyclohexyl-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide

N-cyclohexyl-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide (PubChem CID 6622955) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-cyclohexyl-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
PubChem CID6622955
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC NameN-cyclohexyl-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
SMILESCc1ccc2[nH]c(=O)c3cc(C(=O)N(C)C4CCCCC4)sc3c2c1
InChIInChI=1S/C20H22N2O2S/c1-12-8-9-16-14(10-12)18-15(19(23)21-16)11-17(25-18)20(24)22(2)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,21,23)
InChIKeyWYTNRDHHCWRRKB-UHFFFAOYSA-N
XLogP4.46
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-cyclohexyl-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide (CID 6622955) is N-cyclohexyl-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-cyclohexyl-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide is Cc1ccc2[nH]c(=O)c3cc(C(=O)N(C)C4CCCCC4)sc3c2c1.
What is the InChIKey of N-cyclohexyl-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is WYTNRDHHCWRRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-12-8-9-16-14(10-12)18-15(19(23)21-16)11-17(25-18)20(24)22(2)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,21,23).
What are the key properties of N-cyclohexyl-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
N-cyclohexyl-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 6622955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).