2-ethoxyethyl 3-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate

C25H24N2O5 — CID 19233094

IUPAC2-ethoxyethyl 3-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate
SMILESCCOCCOC(=O)c1cccc(NC(c2ccco2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C25H24N2O5/c1-2-30-14-15-32-25(29)18-6-3-8-19(16-18)27-23(21-9-5-13-31-21)20-11-10-17-7-4-12-26-22(17)24(20)28/h3-13,16,23,27-28H,2,14-15H2,1H3
InChIKeyYMKKUTQHZSAMLK-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.93
Rot. Bonds9

About 2-ethoxyethyl 3-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate

2-ethoxyethyl 3-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate (PubChem CID 19233094) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-ethoxyethyl 3-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate.

Molecular Properties

Compound Name2-ethoxyethyl 3-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate
PubChem CID19233094
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name2-ethoxyethyl 3-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate
SMILESCCOCCOC(=O)c1cccc(NC(c2ccco2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C25H24N2O5/c1-2-30-14-15-32-25(29)18-6-3-8-19(16-18)27-23(21-9-5-13-31-21)20-11-10-17-7-4-12-26-22(17)24(20)28/h3-13,16,23,27-28H,2,14-15H2,1H3
InChIKeyYMKKUTQHZSAMLK-UHFFFAOYSA-N
XLogP4.93
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

butyl 3-[[(8-hydroxyquinolin-7-yl)-pyridin-4-ylmethyl]amino]benzoate
CID 19232971
2-ethoxyethyl 4-[[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]amino]benzoate
CID 19233065
2-ethoxyethyl 3-[[(8-hydroxy-2-methylquinolin-7-yl)-phenylmethyl]amino]benzoate
CID 19233096
methyl 3-[[furan-2-yl-(8-hydroxy-2-methylquinolin-7-yl)methyl]amino]benzoate
CID 19232966
propan-2-yl 4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate
CID 19233038
7-[(S)-furan-2-yl-(pyrimidin-2-ylamino)methyl]quinolin-8-ol
CID 703337
7-[(3-chloro-4-methoxyanilino)-(furan-2-yl)methyl]quinolin-8-ol
CID 19233262
ethyl 4-[anilino-(8-hydroxyquinolin-7-yl)methyl]benzoate
CID 23851621
4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzenesulfonamide
CID 19233159
N-[(R)-furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]butanamide
CID 767453
7-[furan-2-yl-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 19233328
7-[(2,4-dichloroanilino)-(furan-2-yl)methyl]quinolin-8-ol
CID 4073581

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 3-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate?
The IUPAC name of 2-ethoxyethyl 3-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate (CID 19233094) is 2-ethoxyethyl 3-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate.
What is the SMILES notation for 2-ethoxyethyl 3-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate?
The canonical SMILES for 2-ethoxyethyl 3-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate is CCOCCOC(=O)c1cccc(NC(c2ccco2)c2ccc3cccnc3c2O)c1.
What is the InChIKey of 2-ethoxyethyl 3-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate?
The InChIKey is YMKKUTQHZSAMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-2-30-14-15-32-25(29)18-6-3-8-19(16-18)27-23(21-9-5-13-31-21)20-11-10-17-7-4-12-26-22(17)24(20)28/h3-13,16,23,27-28H,2,14-15H2,1H3.
What are the key properties of 2-ethoxyethyl 3-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate?
2-ethoxyethyl 3-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate has a molecular weight of 432.48 g/mol, XLogP of 4.93, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 3-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate is sourced from PubChem (CID 19233094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).