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

C13H11N5O2 — CID 110489890

IUPAC7-methoxy-N-(1H-1,2,4-triazol-5-yl)quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3ncn[nH]3)cnc2c1
InChIInChI=1S/C13H11N5O2/c1-20-10-3-2-8-4-9(6-14-11(8)5-10)12(19)17-13-15-7-16-18-13/h2-7H,1H3,(H2,15,16,17,18,19)
InChIKeyFBUHWMIURHPCSK-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.61
Rot. Bonds3

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

7-methoxy-N-(1H-1,2,4-triazol-5-yl)quinoline-3-carboxamide (PubChem CID 110489890) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is 7-methoxy-N-(1H-1,2,4-triazol-5-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-(1H-1,2,4-triazol-5-yl)quinoline-3-carboxamide
PubChem CID110489890
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Name7-methoxy-N-(1H-1,2,4-triazol-5-yl)quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3ncn[nH]3)cnc2c1
InChIInChI=1S/C13H11N5O2/c1-20-10-3-2-8-4-9(6-14-11(8)5-10)12(19)17-13-15-7-16-18-13/h2-7H,1H3,(H2,15,16,17,18,19)
InChIKeyFBUHWMIURHPCSK-UHFFFAOYSA-N
XLogP1.61
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-N-pentan-3-ylquinoline-3-carboxamide
CID 129276017
methyl 2-[(7-methoxyquinoline-3-carbonyl)amino]acetate
CID 110489898
7-methoxy-N-(2-methylpropyl)quinoline-3-carboxamide
CID 110489915
3-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)-1H-pyrazole-5-carboxamide
CID 71706566
N-[(2S)-1-amino-1-oxopropan-2-yl]-7-methoxyquinoline-3-carboxamide
CID 155544242
7-methoxy-N-[2-(2-oxoimidazolidin-1-yl)ethyl]quinoline-3-carboxamide
CID 155559395
N-(4-cyclopropyl-6-methylpyrimidin-2-yl)-7-methoxyquinoline-3-carboxamide
CID 138051189
1-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
CID 110485671
7-methoxy-4-oxo-N-(1H-1,2,4-triazol-5-yl)-1H-quinoline-3-carboxamide
CID 124506094
4-butoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 7376074
ethyl 7-methoxyquinoline-3-carboxylate;hydrochloride
CID 22326874
1-methyl-N-(1H-1,2,4-triazol-5-yl)indazole-6-carboxamide
CID 110475562

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(1H-1,2,4-triazol-5-yl)quinoline-3-carboxamide?
The IUPAC name of 7-methoxy-N-(1H-1,2,4-triazol-5-yl)quinoline-3-carboxamide (CID 110489890) is 7-methoxy-N-(1H-1,2,4-triazol-5-yl)quinoline-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-(1H-1,2,4-triazol-5-yl)quinoline-3-carboxamide?
The canonical SMILES for 7-methoxy-N-(1H-1,2,4-triazol-5-yl)quinoline-3-carboxamide is COc1ccc2cc(C(=O)Nc3ncn[nH]3)cnc2c1.
What is the InChIKey of 7-methoxy-N-(1H-1,2,4-triazol-5-yl)quinoline-3-carboxamide?
The InChIKey is FBUHWMIURHPCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c1-20-10-3-2-8-4-9(6-14-11(8)5-10)12(19)17-13-15-7-16-18-13/h2-7H,1H3,(H2,15,16,17,18,19).
What are the key properties of 7-methoxy-N-(1H-1,2,4-triazol-5-yl)quinoline-3-carboxamide?
7-methoxy-N-(1H-1,2,4-triazol-5-yl)quinoline-3-carboxamide has a molecular weight of 269.26 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(1H-1,2,4-triazol-5-yl)quinoline-3-carboxamide is sourced from PubChem (CID 110489890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).