2-(4-ethylphenyl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide

C20H17N5O — CID 868748

IUPAC2-(4-ethylphenyl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)Nn3cnnc3)c3ccccc3n2)cc1
InChIInChI=1S/C20H17N5O/c1-2-14-7-9-15(10-8-14)19-11-17(16-5-3-4-6-18(16)23-19)20(26)24-25-12-21-22-13-25/h3-13H,2H2,1H3,(H,24,26)
InChIKeySHCVLGQJKKOFLP-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.44
Rot. Bonds4

About 2-(4-ethylphenyl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide

2-(4-ethylphenyl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide (PubChem CID 868748) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide
PubChem CID868748
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name2-(4-ethylphenyl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)Nn3cnnc3)c3ccccc3n2)cc1
InChIInChI=1S/C20H17N5O/c1-2-14-7-9-15(10-8-14)19-11-17(16-5-3-4-6-18(16)23-19)20(26)24-25-12-21-22-13-25/h3-13H,2H2,1H3,(H,24,26)
InChIKeySHCVLGQJKKOFLP-UHFFFAOYSA-N
XLogP3.44
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-ethylphenyl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide (CID 868748) is 2-(4-ethylphenyl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-ethylphenyl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-ethylphenyl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide is CCc1ccc(-c2cc(C(=O)Nn3cnnc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide?
The InChIKey is SHCVLGQJKKOFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-2-14-7-9-15(10-8-14)19-11-17(16-5-3-4-6-18(16)23-19)20(26)24-25-12-21-22-13-25/h3-13H,2H2,1H3,(H,24,26).
What are the key properties of 2-(4-ethylphenyl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide?
2-(4-ethylphenyl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 868748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).