3-ethyl-7-pyridin-4-yl-N-quinolin-2-yl-1-benzothiophene-2-carboxamide

C25H19N3OS — CID 155514176

IUPAC3-ethyl-7-pyridin-4-yl-N-quinolin-2-yl-1-benzothiophene-2-carboxamide
SMILESCCc1c(C(=O)Nc2ccc3ccccc3n2)sc2c(-c3ccncc3)cccc12
InChIInChI=1S/C25H19N3OS/c1-2-18-20-8-5-7-19(16-12-14-26-15-13-16)23(20)30-24(18)25(29)28-22-11-10-17-6-3-4-9-21(17)27-22/h3-15H,2H2,1H3,(H,27,28,29)
InChIKeyKCIGPPBFZFFUJR-UHFFFAOYSA-N
MW409.51 g/mol
LogP6.33
Rot. Bonds4

About 3-ethyl-7-pyridin-4-yl-N-quinolin-2-yl-1-benzothiophene-2-carboxamide

3-ethyl-7-pyridin-4-yl-N-quinolin-2-yl-1-benzothiophene-2-carboxamide (PubChem CID 155514176) has the molecular formula C25H19N3OS and a molecular weight of 409.51 g/mol. Its IUPAC name is 3-ethyl-7-pyridin-4-yl-N-quinolin-2-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-7-pyridin-4-yl-N-quinolin-2-yl-1-benzothiophene-2-carboxamide
PubChem CID155514176
Molecular FormulaC25H19N3OS
Molecular Weight409.51 g/mol
Exact Mass409.12
IUPAC Name3-ethyl-7-pyridin-4-yl-N-quinolin-2-yl-1-benzothiophene-2-carboxamide
SMILESCCc1c(C(=O)Nc2ccc3ccccc3n2)sc2c(-c3ccncc3)cccc12
InChIInChI=1S/C25H19N3OS/c1-2-18-20-8-5-7-19(16-12-14-26-15-13-16)23(20)30-24(18)25(29)28-22-11-10-17-6-3-4-9-21(17)27-22/h3-15H,2H2,1H3,(H,27,28,29)
InChIKeyKCIGPPBFZFFUJR-UHFFFAOYSA-N
XLogP6.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.51
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tak-715
CID 9952773
N-[1-(4-acetylanilino)-6-methylisoquinolin-5-yl]-4-aminothieno[3,2-d]pyrimidine-7-carboxamide
CID 71622312
2-phenyl-N-(pyridin-2-ylcarbamothioyl)quinoline-4-carboxamide
CID 996677
N-(4,6-dimethylpyridin-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 1220150
2-(5-chlorothiophen-2-yl)-N-(pyridin-2-yl)quinoline-4-carboxamide
CID 4119741
(E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
CID 9908485
N-[4-(2-Propyl-4-m-tolyl-thiazol-5-yl)-pyridin-2-yl]-benzamide
CID 10179981
N-[4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-YL]-2-pyridyl]phenylacetamide
CID 10295235
Quinoline-8-carboxylic acid [4-(4-benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-amide
CID 10575339
N-[4-(2-Ethyl-4-o-tolyl-thiazol-5-yl)-pyridin-2-yl]-benzamide
CID 11675697
N-[3-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-2-phenylacetamide
CID 16066694
N-[3-(4-Amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 16223710

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-pyridin-4-yl-N-quinolin-2-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-ethyl-7-pyridin-4-yl-N-quinolin-2-yl-1-benzothiophene-2-carboxamide (CID 155514176) is 3-ethyl-7-pyridin-4-yl-N-quinolin-2-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-ethyl-7-pyridin-4-yl-N-quinolin-2-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-ethyl-7-pyridin-4-yl-N-quinolin-2-yl-1-benzothiophene-2-carboxamide is CCc1c(C(=O)Nc2ccc3ccccc3n2)sc2c(-c3ccncc3)cccc12.
What is the InChIKey of 3-ethyl-7-pyridin-4-yl-N-quinolin-2-yl-1-benzothiophene-2-carboxamide?
The InChIKey is KCIGPPBFZFFUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3OS/c1-2-18-20-8-5-7-19(16-12-14-26-15-13-16)23(20)30-24(18)25(29)28-22-11-10-17-6-3-4-9-21(17)27-22/h3-15H,2H2,1H3,(H,27,28,29).
What are the key properties of 3-ethyl-7-pyridin-4-yl-N-quinolin-2-yl-1-benzothiophene-2-carboxamide?
3-ethyl-7-pyridin-4-yl-N-quinolin-2-yl-1-benzothiophene-2-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 6.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-pyridin-4-yl-N-quinolin-2-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 155514176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).