N-(2-cyanoethyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide

C18H17N3O2S — CID 6622369

IUPACN-(2-cyanoethyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
SMILESCCn1c(=O)c2cc(C(=O)N(C)CCC#N)sc2c2ccccc21
InChIInChI=1S/C18H17N3O2S/c1-3-21-14-8-5-4-7-12(14)16-13(17(21)22)11-15(24-16)18(23)20(2)10-6-9-19/h4-5,7-8,11H,3,6,10H2,1-2H3
InChIKeyKZEYRKAWYJKSHO-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.22
Rot. Bonds4

About N-(2-cyanoethyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide

N-(2-cyanoethyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide (PubChem CID 6622369) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(2-cyanoethyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
PubChem CID6622369
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-(2-cyanoethyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
SMILESCCn1c(=O)c2cc(C(=O)N(C)CCC#N)sc2c2ccccc21
InChIInChI=1S/C18H17N3O2S/c1-3-21-14-8-5-4-7-12(14)16-13(17(21)22)11-15(24-16)18(23)20(2)10-6-9-19/h4-5,7-8,11H,3,6,10H2,1-2H3
InChIKeyKZEYRKAWYJKSHO-UHFFFAOYSA-N
XLogP3.22
TPSA66.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(2-cyanoethyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dimethylphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20865347
N-cyclohexyl-5-ethyl-4-oxo-N-propan-2-ylthieno[3,2-c]quinoline-2-carboxamide
CID 20865413
5-ethyl-N-(furan-2-ylmethyl)-N-(3-methylbutyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20865433
5-ethyl-2-(morpholine-4-carbonyl)thieno[3,2-c]quinolin-4-one
CID 5309656
N-(2,5-dimethoxyphenyl)-N,5-diethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20865358
N-cyclopentyl-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 6622578
5-ethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide
CID 20865333
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20865329
5-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20865415
N-[(2,4-dimethoxyphenyl)methyl]-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20865399
2-(4-benzylpiperidine-1-carbonyl)-5-ethylthieno[3,2-c]quinolin-4-one
CID 20865301
2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-ethylthieno[3,2-c]quinolin-4-one
CID 20865373

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide (CID 6622369) is N-(2-cyanoethyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide is CCn1c(=O)c2cc(C(=O)N(C)CCC#N)sc2c2ccccc21.
What is the InChIKey of N-(2-cyanoethyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is KZEYRKAWYJKSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-3-21-14-8-5-4-7-12(14)16-13(17(21)22)11-15(24-16)18(23)20(2)10-6-9-19/h4-5,7-8,11H,3,6,10H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide?
N-(2-cyanoethyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 6622369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).