N'-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]-N-quinolin-8-yloxamide

C21H18N6O2 — CID 71907555

IUPACN'-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]-N-quinolin-8-yloxamide
SMILESO=C(Nc1cccc2cccnc12)C(=O)NC(Cn1cncn1)c1ccccc1
InChIInChI=1S/C21H18N6O2/c28-20(25-17-10-4-8-16-9-5-11-23-19(16)17)21(29)26-18(12-27-14-22-13-24-27)15-6-2-1-3-7-15/h1-11,13-14,18H,12H2,(H,25,28)(H,26,29)
InChIKeyMKSNJMOKNUJJBG-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.32
Rot. Bonds5

About N'-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]-N-quinolin-8-yloxamide

N'-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]-N-quinolin-8-yloxamide (PubChem CID 71907555) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is N'-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]-N-quinolin-8-yloxamide.

Molecular Properties

Compound NameN'-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]-N-quinolin-8-yloxamide
PubChem CID71907555
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC NameN'-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]-N-quinolin-8-yloxamide
SMILESO=C(Nc1cccc2cccnc12)C(=O)NC(Cn1cncn1)c1ccccc1
InChIInChI=1S/C21H18N6O2/c28-20(25-17-10-4-8-16-9-5-11-23-19(16)17)21(29)26-18(12-27-14-22-13-24-27)15-6-2-1-3-7-15/h1-11,13-14,18H,12H2,(H,25,28)(H,26,29)
InChIKeyMKSNJMOKNUJJBG-UHFFFAOYSA-N
XLogP2.32
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methylphenyl)-N'-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]oxamide
CID 97070868
(2R)-2-phenyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]propanamide
CID 99855935
1-[(1S)-2-methylsulfonyl-1-phenylethyl]-3-quinolin-8-ylurea
CID 97000980
2,6-dimethyl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridine-3-carboxamide
CID 56827245
N'-pyridin-2-yl-N-quinolin-8-yloxamide
CID 108525948
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 91775636
ethyl (3R)-3-phenyl-3-(quinolin-8-ylcarbamoylamino)propanoate
CID 95288023
ethyl (3S)-3-phenyl-3-(quinolin-8-ylcarbamoylamino)propanoate
CID 95134563
3-acetamido-4-methyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]benzamide
CID 52514811
2-cyclohexylidene-N-[(1S)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]acetamide
CID 95341586
N-(2-methylpropyl)-N'-quinolin-8-yloxamide
CID 47225581
1-(3-chloro-4-methylphenyl)-3-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]urea
CID 51135005

Frequently Asked Questions

What is the IUPAC name of N'-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]-N-quinolin-8-yloxamide?
The IUPAC name of N'-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]-N-quinolin-8-yloxamide (CID 71907555) is N'-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]-N-quinolin-8-yloxamide.
What is the SMILES notation for N'-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]-N-quinolin-8-yloxamide?
The canonical SMILES for N'-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]-N-quinolin-8-yloxamide is O=C(Nc1cccc2cccnc12)C(=O)NC(Cn1cncn1)c1ccccc1.
What is the InChIKey of N'-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]-N-quinolin-8-yloxamide?
The InChIKey is MKSNJMOKNUJJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c28-20(25-17-10-4-8-16-9-5-11-23-19(16)17)21(29)26-18(12-27-14-22-13-24-27)15-6-2-1-3-7-15/h1-11,13-14,18H,12H2,(H,25,28)(H,26,29).
What are the key properties of N'-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]-N-quinolin-8-yloxamide?
N'-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]-N-quinolin-8-yloxamide has a molecular weight of 386.42 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]-N-quinolin-8-yloxamide is sourced from PubChem (CID 71907555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).