N-cyclohexyl-5-ethyl-4-oxo-N-propan-2-ylthieno[3,2-c]quinoline-2-carboxamide

C23H28N2O2S — CID 20865413

IUPACN-cyclohexyl-5-ethyl-4-oxo-N-propan-2-ylthieno[3,2-c]quinoline-2-carboxamide
SMILESCCn1c(=O)c2cc(C(=O)N(C(C)C)C3CCCCC3)sc2c2ccccc21
InChIInChI=1S/C23H28N2O2S/c1-4-24-19-13-9-8-12-17(19)21-18(22(24)26)14-20(28-21)23(27)25(15(2)3)16-10-6-5-7-11-16/h8-9,12-16H,4-7,10-11H2,1-3H3
InChIKeyQAMVXGDOQFOEBQ-UHFFFAOYSA-N
MW396.56 g/mol
LogP5.42
Rot. Bonds4

About N-cyclohexyl-5-ethyl-4-oxo-N-propan-2-ylthieno[3,2-c]quinoline-2-carboxamide

N-cyclohexyl-5-ethyl-4-oxo-N-propan-2-ylthieno[3,2-c]quinoline-2-carboxamide (PubChem CID 20865413) has the molecular formula C23H28N2O2S and a molecular weight of 396.56 g/mol. Its IUPAC name is N-cyclohexyl-5-ethyl-4-oxo-N-propan-2-ylthieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-ethyl-4-oxo-N-propan-2-ylthieno[3,2-c]quinoline-2-carboxamide
PubChem CID20865413
Molecular FormulaC23H28N2O2S
Molecular Weight396.56 g/mol
Exact Mass396.19
IUPAC NameN-cyclohexyl-5-ethyl-4-oxo-N-propan-2-ylthieno[3,2-c]quinoline-2-carboxamide
SMILESCCn1c(=O)c2cc(C(=O)N(C(C)C)C3CCCCC3)sc2c2ccccc21
InChIInChI=1S/C23H28N2O2S/c1-4-24-19-13-9-8-12-17(19)21-18(22(24)26)14-20(28-21)23(27)25(15(2)3)16-10-6-5-7-11-16/h8-9,12-16H,4-7,10-11H2,1-3H3
InChIKeyQAMVXGDOQFOEBQ-UHFFFAOYSA-N
XLogP5.42
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.56
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 6622578
N-cyclohexyl-N,5-dimethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 15995877
N-(2-cyanoethyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 6622369
N-(3,4-dimethylphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20865347
5-ethyl-N-(furan-2-ylmethyl)-N-(3-methylbutyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20865433
2-(4-benzylpiperidine-1-carbonyl)-5-ethylthieno[3,2-c]quinolin-4-one
CID 20865301
5-ethyl-2-(morpholine-4-carbonyl)thieno[3,2-c]quinolin-4-one
CID 5309656
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
N-(2,5-dimethoxyphenyl)-N,5-diethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20865358
2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-ethylthieno[3,2-c]quinolin-4-one
CID 20865373
5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one
CID 20865318

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-ethyl-4-oxo-N-propan-2-ylthieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-cyclohexyl-5-ethyl-4-oxo-N-propan-2-ylthieno[3,2-c]quinoline-2-carboxamide (CID 20865413) is N-cyclohexyl-5-ethyl-4-oxo-N-propan-2-ylthieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-ethyl-4-oxo-N-propan-2-ylthieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-cyclohexyl-5-ethyl-4-oxo-N-propan-2-ylthieno[3,2-c]quinoline-2-carboxamide is CCn1c(=O)c2cc(C(=O)N(C(C)C)C3CCCCC3)sc2c2ccccc21.
What is the InChIKey of N-cyclohexyl-5-ethyl-4-oxo-N-propan-2-ylthieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is QAMVXGDOQFOEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2S/c1-4-24-19-13-9-8-12-17(19)21-18(22(24)26)14-20(28-21)23(27)25(15(2)3)16-10-6-5-7-11-16/h8-9,12-16H,4-7,10-11H2,1-3H3.
What are the key properties of N-cyclohexyl-5-ethyl-4-oxo-N-propan-2-ylthieno[3,2-c]quinoline-2-carboxamide?
N-cyclohexyl-5-ethyl-4-oxo-N-propan-2-ylthieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 396.56 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-ethyl-4-oxo-N-propan-2-ylthieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 20865413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).