N-butyl-N-ethyl-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide

C19H22N2O2S — CID 20873084

IUPACN-butyl-N-ethyl-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
SMILESCCCCN(CC)C(=O)c1cc2c(=O)[nH]c3ccc(C)cc3c2s1
InChIInChI=1S/C19H22N2O2S/c1-4-6-9-21(5-2)19(23)16-11-14-17(24-16)13-10-12(3)7-8-15(13)20-18(14)22/h7-8,10-11H,4-6,9H2,1-3H3,(H,20,22)
InChIKeyFZQQJHCHZJKPTC-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.31
Rot. Bonds5

About N-butyl-N-ethyl-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide

N-butyl-N-ethyl-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide (PubChem CID 20873084) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-butyl-N-ethyl-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
PubChem CID20873084
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-butyl-N-ethyl-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
SMILESCCCCN(CC)C(=O)c1cc2c(=O)[nH]c3ccc(C)cc3c2s1
InChIInChI=1S/C19H22N2O2S/c1-4-6-9-21(5-2)19(23)16-11-14-17(24-16)13-10-12(3)7-8-15(13)20-18(14)22/h7-8,10-11H,4-6,9H2,1-3H3,(H,20,22)
InChIKeyFZQQJHCHZJKPTC-UHFFFAOYSA-N
XLogP4.31
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,8-dimethyl-4-oxo-N-phenyl-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 6620018
N-(3-methoxypropyl)-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 20873099
N-(5-chloro-2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 20879952
N-butyl-N-ethyl-2,3-dimethyl-1H-indole-5-carboxamide
CID 18164314
8-methyl-4-oxo-N-(pyridin-3-ylmethyl)-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 20879934
N-cyclohexyl-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 3562806
8-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-thieno[3,2-c]quinolin-4-one
CID 15987691
2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methyl-5H-thieno[3,2-c]quinolin-4-one
CID 126458329
N-butyl-4-chloro-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide
CID 46257036
N-methoxy-N-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 90704825
2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-8-methyl-5H-thieno[3,2-c]quinolin-4-one
CID 20879965
N-ethyl-N-hexadecylthiophene-2-carboxamide
CID 91704886

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-butyl-N-ethyl-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide (CID 20873084) is N-butyl-N-ethyl-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-butyl-N-ethyl-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-butyl-N-ethyl-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide is CCCCN(CC)C(=O)c1cc2c(=O)[nH]c3ccc(C)cc3c2s1.
What is the InChIKey of N-butyl-N-ethyl-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is FZQQJHCHZJKPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-4-6-9-21(5-2)19(23)16-11-14-17(24-16)13-10-12(3)7-8-15(13)20-18(14)22/h7-8,10-11H,4-6,9H2,1-3H3,(H,20,22).
What are the key properties of N-butyl-N-ethyl-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
N-butyl-N-ethyl-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 20873084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).