7-methoxy-4-oxo-N-(1H-1,2,4-triazol-5-yl)-1H-quinoline-3-carboxamide

C13H11N5O3 — CID 124506094

IUPAC7-methoxy-4-oxo-N-(1H-1,2,4-triazol-5-yl)-1H-quinoline-3-carboxamide
SMILESCOc1ccc2c(=O)c(C(=O)Nc3ncn[nH]3)c[nH]c2c1
InChIInChI=1S/C13H11N5O3/c1-21-7-2-3-8-10(4-7)14-5-9(11(8)19)12(20)17-13-15-6-16-18-13/h2-6H,1H3,(H,14,19)(H2,15,16,17,18,20)
InChIKeyOFEBQRJVUCWCPT-UHFFFAOYSA-N
MW285.26 g/mol
LogP0.91
Rot. Bonds3

About 7-methoxy-4-oxo-N-(1H-1,2,4-triazol-5-yl)-1H-quinoline-3-carboxamide

7-methoxy-4-oxo-N-(1H-1,2,4-triazol-5-yl)-1H-quinoline-3-carboxamide (PubChem CID 124506094) has the molecular formula C13H11N5O3 and a molecular weight of 285.26 g/mol. Its IUPAC name is 7-methoxy-4-oxo-N-(1H-1,2,4-triazol-5-yl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-4-oxo-N-(1H-1,2,4-triazol-5-yl)-1H-quinoline-3-carboxamide
PubChem CID124506094
Molecular FormulaC13H11N5O3
Molecular Weight285.26 g/mol
Exact Mass285.09
IUPAC Name7-methoxy-4-oxo-N-(1H-1,2,4-triazol-5-yl)-1H-quinoline-3-carboxamide
SMILESCOc1ccc2c(=O)c(C(=O)Nc3ncn[nH]3)c[nH]c2c1
InChIInChI=1S/C13H11N5O3/c1-21-7-2-3-8-10(4-7)14-5-9(11(8)19)12(20)17-13-15-6-16-18-13/h2-6H,1H3,(H,14,19)(H2,15,16,17,18,20)
InChIKeyOFEBQRJVUCWCPT-UHFFFAOYSA-N
XLogP0.91
TPSA112.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

7-methyl-4-oxo-N-(1H-1,2,4-triazol-5-yl)-1H-1,8-naphthyridine-3-carboxamide
CID 60506748
N-(2,4-ditert-butyl-5-hydroxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 59410073
N-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 122714941
6-methoxy-N-(4-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 43831865
N-(3-chloro-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide
CID 113206624
N-[3-(diethylamino)propyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 78323048
6-methoxy-4-oxo-1H-quinoline-3-carbohydrazide
CID 95233454
3-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)-1H-pyrazole-5-carboxamide
CID 71706566
7-methoxy-N-(1H-1,2,4-triazol-5-yl)quinoline-3-carboxamide
CID 110489890
N-(4-bromophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43831869
2,3-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 912373
N-(2-hydroxyethyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43813799

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-oxo-N-(1H-1,2,4-triazol-5-yl)-1H-quinoline-3-carboxamide?
The IUPAC name of 7-methoxy-4-oxo-N-(1H-1,2,4-triazol-5-yl)-1H-quinoline-3-carboxamide (CID 124506094) is 7-methoxy-4-oxo-N-(1H-1,2,4-triazol-5-yl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 7-methoxy-4-oxo-N-(1H-1,2,4-triazol-5-yl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 7-methoxy-4-oxo-N-(1H-1,2,4-triazol-5-yl)-1H-quinoline-3-carboxamide is COc1ccc2c(=O)c(C(=O)Nc3ncn[nH]3)c[nH]c2c1.
What is the InChIKey of 7-methoxy-4-oxo-N-(1H-1,2,4-triazol-5-yl)-1H-quinoline-3-carboxamide?
The InChIKey is OFEBQRJVUCWCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O3/c1-21-7-2-3-8-10(4-7)14-5-9(11(8)19)12(20)17-13-15-6-16-18-13/h2-6H,1H3,(H,14,19)(H2,15,16,17,18,20).
What are the key properties of 7-methoxy-4-oxo-N-(1H-1,2,4-triazol-5-yl)-1H-quinoline-3-carboxamide?
7-methoxy-4-oxo-N-(1H-1,2,4-triazol-5-yl)-1H-quinoline-3-carboxamide has a molecular weight of 285.26 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-oxo-N-(1H-1,2,4-triazol-5-yl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 124506094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).