4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(2-quinolin-8-ylethyl)butanamide

C21H22N2O2S — CID 18149370

IUPAC4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(2-quinolin-8-ylethyl)butanamide
SMILESCc1cc(C(=O)CCC(=O)NCCc2cccc3cccnc23)c(C)s1
InChIInChI=1S/C21H22N2O2S/c1-14-13-18(15(2)26-14)19(24)8-9-20(25)22-12-10-17-6-3-5-16-7-4-11-23-21(16)17/h3-7,11,13H,8-10,12H2,1-2H3,(H,22,25)
InChIKeyROMKDYLZFNXGLC-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.23
Rot. Bonds7

About 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(2-quinolin-8-ylethyl)butanamide

4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(2-quinolin-8-ylethyl)butanamide (PubChem CID 18149370) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(2-quinolin-8-ylethyl)butanamide.

Molecular Properties

Compound Name4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(2-quinolin-8-ylethyl)butanamide
PubChem CID18149370
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(2-quinolin-8-ylethyl)butanamide
SMILESCc1cc(C(=O)CCC(=O)NCCc2cccc3cccnc23)c(C)s1
InChIInChI=1S/C21H22N2O2S/c1-14-13-18(15(2)26-14)19(24)8-9-20(25)22-12-10-17-6-3-5-16-7-4-11-23-21(16)17/h3-7,11,13H,8-10,12H2,1-2H3,(H,22,25)
InChIKeyROMKDYLZFNXGLC-UHFFFAOYSA-N
XLogP4.23
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(2-quinolin-8-ylethyl)butanamide?
The IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(2-quinolin-8-ylethyl)butanamide (CID 18149370) is 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(2-quinolin-8-ylethyl)butanamide.
What is the SMILES notation for 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(2-quinolin-8-ylethyl)butanamide?
The canonical SMILES for 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(2-quinolin-8-ylethyl)butanamide is Cc1cc(C(=O)CCC(=O)NCCc2cccc3cccnc23)c(C)s1.
What is the InChIKey of 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(2-quinolin-8-ylethyl)butanamide?
The InChIKey is ROMKDYLZFNXGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-14-13-18(15(2)26-14)19(24)8-9-20(25)22-12-10-17-6-3-5-16-7-4-11-23-21(16)17/h3-7,11,13H,8-10,12H2,1-2H3,(H,22,25).
What are the key properties of 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(2-quinolin-8-ylethyl)butanamide?
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(2-quinolin-8-ylethyl)butanamide has a molecular weight of 366.49 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(2-quinolin-8-ylethyl)butanamide is sourced from PubChem (CID 18149370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).