methyl 2-[[(R)-(8-hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoate

C24H20N2O3 — CID 6962939

IUPACmethyl 2-[[(R)-(8-hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoate
SMILESCOC(=O)c1ccccc1N[C@H](c1ccccc1)c1ccc2cccnc2c1O
InChIInChI=1S/C24H20N2O3/c1-29-24(28)18-11-5-6-12-20(18)26-21(16-8-3-2-4-9-16)19-14-13-17-10-7-15-25-22(17)23(19)27/h2-15,21,26-27H,1H3/t21-/m1/s1
InChIKeyZPJOAKSLQZOQOG-OAQYLSRUSA-N
MW384.44 g/mol
LogP4.93
Rot. Bonds5

About methyl 2-[[(R)-(8-hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoate

methyl 2-[[(R)-(8-hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoate (PubChem CID 6962939) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is methyl 2-[[(R)-(8-hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[(R)-(8-hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoate
PubChem CID6962939
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Namemethyl 2-[[(R)-(8-hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoate
SMILESCOC(=O)c1ccccc1N[C@H](c1ccccc1)c1ccc2cccnc2c1O
InChIInChI=1S/C24H20N2O3/c1-29-24(28)18-11-5-6-12-20(18)26-21(16-8-3-2-4-9-16)19-14-13-17-10-7-15-25-22(17)23(19)27/h2-15,21,26-27H,1H3/t21-/m1/s1
InChIKeyZPJOAKSLQZOQOG-OAQYLSRUSA-N
XLogP4.93
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze methyl 2-[[(R)-(8-hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoate 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

7-[(2-hydroxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol
CID 4130526
ethyl 4-[anilino-(8-hydroxyquinolin-7-yl)methyl]benzoate
CID 23851621
7-[(2-hydroxyanilino)-pyridin-1-ium-3-ylmethyl]quinolin-8-ol
CID 4130528
N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]benzamide
CID 1369908
7-[(4-fluorophenyl)-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 19232910
4-[(8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]-N-methylbenzamide
CID 146475050
N-[(R)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 2225663
7-[(S)-(2-methoxy-5-methylanilino)-pyridin-4-ylmethyl]quinolin-8-ol
CID 35026479
7-[(S)-(2-ethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol
CID 7453622
7-[(S)-(4-ethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 1222215
4-chloro-N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
CID 146475092
4-fluoro-N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
CID 146474891

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(R)-(8-hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoate?
The IUPAC name of methyl 2-[[(R)-(8-hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoate (CID 6962939) is methyl 2-[[(R)-(8-hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[(R)-(8-hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoate?
The canonical SMILES for methyl 2-[[(R)-(8-hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoate is COC(=O)c1ccccc1N[C@H](c1ccccc1)c1ccc2cccnc2c1O.
What is the InChIKey of methyl 2-[[(R)-(8-hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoate?
The InChIKey is ZPJOAKSLQZOQOG-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-29-24(28)18-11-5-6-12-20(18)26-21(16-8-3-2-4-9-16)19-14-13-17-10-7-15-25-22(17)23(19)27/h2-15,21,26-27H,1H3/t21-/m1/s1.
What are the key properties of methyl 2-[[(R)-(8-hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoate?
methyl 2-[[(R)-(8-hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoate has a molecular weight of 384.44 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(R)-(8-hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoate is sourced from PubChem (CID 6962939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).