3-(8-aminoquinolin-4-yl)oxy-N-benzylbenzamide

C23H19N3O2 — CID 155779006

IUPAC3-(8-aminoquinolin-4-yl)oxy-N-benzylbenzamide
SMILESNc1cccc2c(Oc3cccc(C(=O)NCc4ccccc4)c3)ccnc12
InChIInChI=1S/C23H19N3O2/c24-20-11-5-10-19-21(12-13-25-22(19)20)28-18-9-4-8-17(14-18)23(27)26-15-16-6-2-1-3-7-16/h1-14H,15,24H2,(H,26,27)
InChIKeyWAHCOBBJXZNXRF-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.54
Rot. Bonds5

About 3-(8-aminoquinolin-4-yl)oxy-N-benzylbenzamide

3-(8-aminoquinolin-4-yl)oxy-N-benzylbenzamide (PubChem CID 155779006) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-(8-aminoquinolin-4-yl)oxy-N-benzylbenzamide.

Molecular Properties

Compound Name3-(8-aminoquinolin-4-yl)oxy-N-benzylbenzamide
PubChem CID155779006
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name3-(8-aminoquinolin-4-yl)oxy-N-benzylbenzamide
SMILESNc1cccc2c(Oc3cccc(C(=O)NCc4ccccc4)c3)ccnc12
InChIInChI=1S/C23H19N3O2/c24-20-11-5-10-19-21(12-13-25-22(19)20)28-18-9-4-8-17(14-18)23(27)26-15-16-6-2-1-3-7-16/h1-14H,15,24H2,(H,26,27)
InChIKeyWAHCOBBJXZNXRF-UHFFFAOYSA-N
XLogP4.54
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-(8-aminoquinolin-4-yl)oxyphenyl]methanol
CID 83060557
N-[(4-cyanophenyl)methyl]-3-quinolin-4-yloxybenzamide
CID 166050621
3-(8-aminoquinolin-5-yl)oxybenzamide
CID 43449647
4-[3-(methoxymethyl)phenoxy]quinolin-8-amine
CID 83066383
3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide
CID 167695764
4-(3-methylphenoxy)quinolin-8-amine
CID 83061210
4-(3-bromophenoxy)quinolin-8-amine
CID 83060320
N-benzyl-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-2-carboxamide
CID 67520391
2-amino-N-benzylpyridine-4-carboxamide
CID 18752897
3-[[(3-phenoxybenzoyl)amino]methyl]benzamide
CID 32636499
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-phenylmethoxybenzamide
CID 55637639
N-benzyl-3-[2-(2-chlorophenoxy)ethoxy]benzamide
CID 7492331

Frequently Asked Questions

What is the IUPAC name of 3-(8-aminoquinolin-4-yl)oxy-N-benzylbenzamide?
The IUPAC name of 3-(8-aminoquinolin-4-yl)oxy-N-benzylbenzamide (CID 155779006) is 3-(8-aminoquinolin-4-yl)oxy-N-benzylbenzamide.
What is the SMILES notation for 3-(8-aminoquinolin-4-yl)oxy-N-benzylbenzamide?
The canonical SMILES for 3-(8-aminoquinolin-4-yl)oxy-N-benzylbenzamide is Nc1cccc2c(Oc3cccc(C(=O)NCc4ccccc4)c3)ccnc12.
What is the InChIKey of 3-(8-aminoquinolin-4-yl)oxy-N-benzylbenzamide?
The InChIKey is WAHCOBBJXZNXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c24-20-11-5-10-19-21(12-13-25-22(19)20)28-18-9-4-8-17(14-18)23(27)26-15-16-6-2-1-3-7-16/h1-14H,15,24H2,(H,26,27).
What are the key properties of 3-(8-aminoquinolin-4-yl)oxy-N-benzylbenzamide?
3-(8-aminoquinolin-4-yl)oxy-N-benzylbenzamide has a molecular weight of 369.42 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-aminoquinolin-4-yl)oxy-N-benzylbenzamide is sourced from PubChem (CID 155779006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).