N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide

C18H19N7O2 — CID 46960299

IUPACN-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCc1cc2ccccc2n2c(=O)n(CCNC(=O)C(C)n3cncn3)nc12
InChIInChI=1S/C18H19N7O2/c1-12-9-14-5-3-4-6-15(14)25-16(12)22-23(18(25)27)8-7-20-17(26)13(2)24-11-19-10-21-24/h3-6,9-11,13H,7-8H2,1-2H3,(H,20,26)
InChIKeySJTDEIWFFPMVHX-UHFFFAOYSA-N
MW365.40 g/mol
LogP0.93
Rot. Bonds5

About N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide

N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 46960299) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID46960299
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC NameN-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCc1cc2ccccc2n2c(=O)n(CCNC(=O)C(C)n3cncn3)nc12
InChIInChI=1S/C18H19N7O2/c1-12-9-14-5-3-4-6-15(14)25-16(12)22-23(18(25)27)8-7-20-17(26)13(2)24-11-19-10-21-24/h3-6,9-11,13H,7-8H2,1-2H3,(H,20,26)
InChIKeySJTDEIWFFPMVHX-UHFFFAOYSA-N
XLogP0.93
TPSA99.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 46960299) is N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide is Cc1cc2ccccc2n2c(=O)n(CCNC(=O)C(C)n3cncn3)nc12.
What is the InChIKey of N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is SJTDEIWFFPMVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2/c1-12-9-14-5-3-4-6-15(14)25-16(12)22-23(18(25)27)8-7-20-17(26)13(2)24-11-19-10-21-24/h3-6,9-11,13H,7-8H2,1-2H3,(H,20,26).
What are the key properties of N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 365.40 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 46960299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).