2,5,7-trimethyl-N-[2-(2H-triazol-4-yl)ethyl]quinoline-4-carboxamide

C17H19N5O — CID 119064302

IUPAC2,5,7-trimethyl-N-[2-(2H-triazol-4-yl)ethyl]quinoline-4-carboxamide
SMILESCc1cc(C)c2c(C(=O)NCCc3cn[nH]n3)cc(C)nc2c1
InChIInChI=1S/C17H19N5O/c1-10-6-11(2)16-14(8-12(3)20-15(16)7-10)17(23)18-5-4-13-9-19-22-21-13/h6-9H,4-5H2,1-3H3,(H,18,23)(H,19,21,22)
InChIKeyDTLDDDPASHWPSB-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.25
Rot. Bonds4

About 2,5,7-trimethyl-N-[2-(2H-triazol-4-yl)ethyl]quinoline-4-carboxamide

2,5,7-trimethyl-N-[2-(2H-triazol-4-yl)ethyl]quinoline-4-carboxamide (PubChem CID 119064302) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2,5,7-trimethyl-N-[2-(2H-triazol-4-yl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2,5,7-trimethyl-N-[2-(2H-triazol-4-yl)ethyl]quinoline-4-carboxamide
PubChem CID119064302
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2,5,7-trimethyl-N-[2-(2H-triazol-4-yl)ethyl]quinoline-4-carboxamide
SMILESCc1cc(C)c2c(C(=O)NCCc3cn[nH]n3)cc(C)nc2c1
InChIInChI=1S/C17H19N5O/c1-10-6-11(2)16-14(8-12(3)20-15(16)7-10)17(23)18-5-4-13-9-19-22-21-13/h6-9H,4-5H2,1-3H3,(H,18,23)(H,19,21,22)
InChIKeyDTLDDDPASHWPSB-UHFFFAOYSA-N
XLogP2.25
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5,7-trimethyl-N-[2-(2H-triazol-4-yl)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2,5,7-trimethyl-N-[2-(2H-triazol-4-yl)ethyl]quinoline-4-carboxamide (CID 119064302) is 2,5,7-trimethyl-N-[2-(2H-triazol-4-yl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2,5,7-trimethyl-N-[2-(2H-triazol-4-yl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2,5,7-trimethyl-N-[2-(2H-triazol-4-yl)ethyl]quinoline-4-carboxamide is Cc1cc(C)c2c(C(=O)NCCc3cn[nH]n3)cc(C)nc2c1.
What is the InChIKey of 2,5,7-trimethyl-N-[2-(2H-triazol-4-yl)ethyl]quinoline-4-carboxamide?
The InChIKey is DTLDDDPASHWPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-10-6-11(2)16-14(8-12(3)20-15(16)7-10)17(23)18-5-4-13-9-19-22-21-13/h6-9H,4-5H2,1-3H3,(H,18,23)(H,19,21,22).
What are the key properties of 2,5,7-trimethyl-N-[2-(2H-triazol-4-yl)ethyl]quinoline-4-carboxamide?
2,5,7-trimethyl-N-[2-(2H-triazol-4-yl)ethyl]quinoline-4-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7-trimethyl-N-[2-(2H-triazol-4-yl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 119064302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).