N-[4-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide

C19H19N5O2S — CID 46869674

IUPACN-[4-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
SMILESCc1nc(-c2c(C)csc2NC(=O)CN2C(=O)CCc3ccccc32)n[nH]1
InChIInChI=1S/C19H19N5O2S/c1-11-10-27-19(17(11)18-20-12(2)22-23-18)21-15(25)9-24-14-6-4-3-5-13(14)7-8-16(24)26/h3-6,10H,7-9H2,1-2H3,(H,21,25)(H,20,22,23)
InChIKeyUNUTTXCETMYXRD-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.07
Rot. Bonds4

About N-[4-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide

N-[4-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide (PubChem CID 46869674) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[4-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
PubChem CID46869674
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC NameN-[4-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
SMILESCc1nc(-c2c(C)csc2NC(=O)CN2C(=O)CCc3ccccc32)n[nH]1
InChIInChI=1S/C19H19N5O2S/c1-11-10-27-19(17(11)18-20-12(2)22-23-18)21-15(25)9-24-14-6-4-3-5-13(14)7-8-16(24)26/h3-6,10H,7-9H2,1-2H3,(H,21,25)(H,20,22,23)
InChIKeyUNUTTXCETMYXRD-UHFFFAOYSA-N
XLogP3.07
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide?
The IUPAC name of N-[4-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide (CID 46869674) is N-[4-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide.
What is the SMILES notation for N-[4-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide?
The canonical SMILES for N-[4-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide is Cc1nc(-c2c(C)csc2NC(=O)CN2C(=O)CCc3ccccc32)n[nH]1.
What is the InChIKey of N-[4-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide?
The InChIKey is UNUTTXCETMYXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-11-10-27-19(17(11)18-20-12(2)22-23-18)21-15(25)9-24-14-6-4-3-5-13(14)7-8-16(24)26/h3-6,10H,7-9H2,1-2H3,(H,21,25)(H,20,22,23).
What are the key properties of N-[4-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide?
N-[4-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide has a molecular weight of 381.46 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide is sourced from PubChem (CID 46869674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).