2-(3-methoxyphenyl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide

C19H15N5O2 — CID 868804

IUPAC2-(3-methoxyphenyl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nn3cnnc3)c3ccccc3n2)c1
InChIInChI=1S/C19H15N5O2/c1-26-14-6-4-5-13(9-14)18-10-16(15-7-2-3-8-17(15)22-18)19(25)23-24-11-20-21-12-24/h2-12H,1H3,(H,23,25)
InChIKeyNKUKNFAIHPSEQQ-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.89
Rot. Bonds4

About 2-(3-methoxyphenyl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide

2-(3-methoxyphenyl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide (PubChem CID 868804) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide
PubChem CID868804
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name2-(3-methoxyphenyl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nn3cnnc3)c3ccccc3n2)c1
InChIInChI=1S/C19H15N5O2/c1-26-14-6-4-5-13(9-14)18-10-16(15-7-2-3-8-17(15)22-18)19(25)23-24-11-20-21-12-24/h2-12H,1H3,(H,23,25)
InChIKeyNKUKNFAIHPSEQQ-UHFFFAOYSA-N
XLogP2.89
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide (CID 868804) is 2-(3-methoxyphenyl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide is COc1cccc(-c2cc(C(=O)Nn3cnnc3)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide?
The InChIKey is NKUKNFAIHPSEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-26-14-6-4-5-13(9-14)18-10-16(15-7-2-3-8-17(15)22-18)19(25)23-24-11-20-21-12-24/h2-12H,1H3,(H,23,25).
What are the key properties of 2-(3-methoxyphenyl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide?
2-(3-methoxyphenyl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 868804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).