methyl 3-[[furan-2-yl-(8-hydroxy-2-methylquinolin-7-yl)methyl]amino]benzoate

C23H20N2O4 — CID 19232966

IUPACmethyl 3-[[furan-2-yl-(8-hydroxy-2-methylquinolin-7-yl)methyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(c2ccco2)c2ccc3ccc(C)nc3c2O)c1
InChIInChI=1S/C23H20N2O4/c1-14-8-9-15-10-11-18(22(26)20(15)24-14)21(19-7-4-12-29-19)25-17-6-3-5-16(13-17)23(27)28-2/h3-13,21,25-26H,1-2H3
InChIKeyGDNNBOREGDVLKM-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.83
Rot. Bonds5

About methyl 3-[[furan-2-yl-(8-hydroxy-2-methylquinolin-7-yl)methyl]amino]benzoate

methyl 3-[[furan-2-yl-(8-hydroxy-2-methylquinolin-7-yl)methyl]amino]benzoate (PubChem CID 19232966) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is methyl 3-[[furan-2-yl-(8-hydroxy-2-methylquinolin-7-yl)methyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[furan-2-yl-(8-hydroxy-2-methylquinolin-7-yl)methyl]amino]benzoate
PubChem CID19232966
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Namemethyl 3-[[furan-2-yl-(8-hydroxy-2-methylquinolin-7-yl)methyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(c2ccco2)c2ccc3ccc(C)nc3c2O)c1
InChIInChI=1S/C23H20N2O4/c1-14-8-9-15-10-11-18(22(26)20(15)24-14)21(19-7-4-12-29-19)25-17-6-3-5-16(13-17)23(27)28-2/h3-13,21,25-26H,1-2H3
InChIKeyGDNNBOREGDVLKM-UHFFFAOYSA-N
XLogP4.83
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 3-[[furan-2-yl-(8-hydroxy-2-methylquinolin-7-yl)methyl]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

methyl 3-[[(8-hydroxy-2-methylquinolin-7-yl)-thiophen-2-ylmethyl]amino]benzoate
CID 19232965
2-ethoxyethyl 3-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate
CID 19233094
methyl 3-[1-(furan-2-yl)propylamino]benzoate
CID 62632863
7-[furan-2-yl-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 19233328
7-[(3-chloro-4-methoxyanilino)-(furan-2-yl)methyl]quinolin-8-ol
CID 19233262
7-[anilino-(2,4-dimethylphenyl)methyl]-2-methylquinolin-8-ol;2,2,2-trifluoroacetic acid
CID 53383539
7-[(S)-furan-2-yl-(pyrimidin-2-ylamino)methyl]quinolin-8-ol
CID 703337
2-methoxyethyl 4-[[(8-hydroxy-2-methylquinolin-7-yl)-pyridin-2-ylmethyl]amino]benzoate
CID 19233013
7-[anilino-(4-fluorophenyl)methyl]-2-methylquinolin-8-ol
CID 19233140
7-[(3,4-dimethoxyanilino)-pyridin-4-ylmethyl]-2-methylquinolin-8-ol
CID 19233281
methyl 3-(furan-2-ylcarbamoylamino)benzoate
CID 108868628
2-methyl-7-[pyridin-3-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 3386822

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[furan-2-yl-(8-hydroxy-2-methylquinolin-7-yl)methyl]amino]benzoate?
The IUPAC name of methyl 3-[[furan-2-yl-(8-hydroxy-2-methylquinolin-7-yl)methyl]amino]benzoate (CID 19232966) is methyl 3-[[furan-2-yl-(8-hydroxy-2-methylquinolin-7-yl)methyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[furan-2-yl-(8-hydroxy-2-methylquinolin-7-yl)methyl]amino]benzoate?
The canonical SMILES for methyl 3-[[furan-2-yl-(8-hydroxy-2-methylquinolin-7-yl)methyl]amino]benzoate is COC(=O)c1cccc(NC(c2ccco2)c2ccc3ccc(C)nc3c2O)c1.
What is the InChIKey of methyl 3-[[furan-2-yl-(8-hydroxy-2-methylquinolin-7-yl)methyl]amino]benzoate?
The InChIKey is GDNNBOREGDVLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-14-8-9-15-10-11-18(22(26)20(15)24-14)21(19-7-4-12-29-19)25-17-6-3-5-16(13-17)23(27)28-2/h3-13,21,25-26H,1-2H3.
What are the key properties of methyl 3-[[furan-2-yl-(8-hydroxy-2-methylquinolin-7-yl)methyl]amino]benzoate?
methyl 3-[[furan-2-yl-(8-hydroxy-2-methylquinolin-7-yl)methyl]amino]benzoate has a molecular weight of 388.42 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[furan-2-yl-(8-hydroxy-2-methylquinolin-7-yl)methyl]amino]benzoate is sourced from PubChem (CID 19232966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).