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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Related Compounds

N-(2,6-dimethylphenyl)[1-(2-thienylcarbonyl)(4-piperidyl)]carboxamide
CID 1075575
N-[4-(4,10-Dihydro-1-thia-9-aza-benzo[f]azulene-9-carbonyl)-phenyl]-2-methyl-benzamide
CID 15308000
N-[3-(azepan-1-yl)propyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20857481
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 71714379
N-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155566355
N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 761867
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 885311
1-(Thiophene-2-carbonyl)-piperidine-4-carboxylic acid (2-ethyl-phenyl)-amide
CID 1075536
1-{4-[4-(4,5,6,7-Tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]phenyl}ethan-1-one
CID 1245607
8-methyl-4-oxo-N-(tetrahydrofuran-2-ylmethyl)-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
CID 3570020
N-(3-Methylbutyl)-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 5147248
8-methyl-4-oxo-N,N-dipropyl-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
CID 6620052

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).