N-[(4-methoxyphenyl)methyl]-N'-quinolin-8-yloxamide

C19H17N3O3 — CID 108508241

IUPACN-[(4-methoxyphenyl)methyl]-N'-quinolin-8-yloxamide
SMILESCOc1ccc(CNC(=O)C(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C19H17N3O3/c1-25-15-9-7-13(8-10-15)12-21-18(23)19(24)22-16-6-2-4-14-5-3-11-20-17(14)16/h2-11H,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyRVRQDBLBMQXVMZ-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.50
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-N'-quinolin-8-yloxamide

N-[(4-methoxyphenyl)methyl]-N'-quinolin-8-yloxamide (PubChem CID 108508241) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N'-quinolin-8-yloxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N'-quinolin-8-yloxamide
PubChem CID108508241
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-N'-quinolin-8-yloxamide
SMILESCOc1ccc(CNC(=O)C(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C19H17N3O3/c1-25-15-9-7-13(8-10-15)12-21-18(23)19(24)22-16-6-2-4-14-5-3-11-20-17(14)16/h2-11H,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyRVRQDBLBMQXVMZ-UHFFFAOYSA-N
XLogP2.50
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(4-methoxyphenyl)methyl]-N'-quinolin-8-yloxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-quinolin-8-yloxamide
CID 108506300
N-(2-methylpropyl)-N'-quinolin-8-yloxamide
CID 47225581
N'-(2-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2273905
2-[(4-methoxyphenyl)methyl]-2-methyl-N-quinolin-8-ylbutanamide
CID 102136715
4-(acetamidomethyl)-N-quinolin-8-ylbenzamide
CID 18196066
2-(4-methoxyphenyl)-N-[4-(quinolin-8-ylamino)phenyl]acetamide
CID 112989310
2-[(4-methoxyphenyl)methyl-methylsulfonylamino]-N-quinolin-8-ylacetamide
CID 113151329
4-methoxy-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 952487
2,6-bis(4-methoxyphenyl)-N-quinolin-8-ylbenzamide
CID 139200312
N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfinyl]acetamide
CID 51552903
ethyl 2-oxo-2-(quinolin-8-ylamino)acetate
CID 10421911
1-[(4-methoxyphenyl)methyl]-3-(4-quinolin-8-yloxybut-2-ynyl)urea
CID 90579893

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N'-quinolin-8-yloxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N'-quinolin-8-yloxamide (CID 108508241) is N-[(4-methoxyphenyl)methyl]-N'-quinolin-8-yloxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N'-quinolin-8-yloxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N'-quinolin-8-yloxamide is COc1ccc(CNC(=O)C(=O)Nc2cccc3cccnc23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N'-quinolin-8-yloxamide?
The InChIKey is RVRQDBLBMQXVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-25-15-9-7-13(8-10-15)12-21-18(23)19(24)22-16-6-2-4-14-5-3-11-20-17(14)16/h2-11H,12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[(4-methoxyphenyl)methyl]-N'-quinolin-8-yloxamide?
N-[(4-methoxyphenyl)methyl]-N'-quinolin-8-yloxamide has a molecular weight of 335.36 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N'-quinolin-8-yloxamide is sourced from PubChem (CID 108508241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).