2-methoxyethyl 4-[[(8-hydroxy-2-methylquinolin-7-yl)-pyridin-2-ylmethyl]amino]benzoate

C26H25N3O4 — CID 19233013

IUPAC2-methoxyethyl 4-[[(8-hydroxy-2-methylquinolin-7-yl)-pyridin-2-ylmethyl]amino]benzoate
SMILESCOCCOC(=O)c1ccc(NC(c2ccccn2)c2ccc3ccc(C)nc3c2O)cc1
InChIInChI=1S/C26H25N3O4/c1-17-6-7-18-10-13-21(25(30)23(18)28-17)24(22-5-3-4-14-27-22)29-20-11-8-19(9-12-20)26(31)33-16-15-32-2/h3-14,24,29-30H,15-16H2,1-2H3
InChIKeySJBGTCASYOGYTA-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.65
Rot. Bonds8

About 2-methoxyethyl 4-[[(8-hydroxy-2-methylquinolin-7-yl)-pyridin-2-ylmethyl]amino]benzoate

2-methoxyethyl 4-[[(8-hydroxy-2-methylquinolin-7-yl)-pyridin-2-ylmethyl]amino]benzoate (PubChem CID 19233013) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-methoxyethyl 4-[[(8-hydroxy-2-methylquinolin-7-yl)-pyridin-2-ylmethyl]amino]benzoate.

Molecular Properties

Compound Name2-methoxyethyl 4-[[(8-hydroxy-2-methylquinolin-7-yl)-pyridin-2-ylmethyl]amino]benzoate
PubChem CID19233013
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name2-methoxyethyl 4-[[(8-hydroxy-2-methylquinolin-7-yl)-pyridin-2-ylmethyl]amino]benzoate
SMILESCOCCOC(=O)c1ccc(NC(c2ccccn2)c2ccc3ccc(C)nc3c2O)cc1
InChIInChI=1S/C26H25N3O4/c1-17-6-7-18-10-13-21(25(30)23(18)28-17)24(22-5-3-4-14-27-22)29-20-11-8-19(9-12-20)26(31)33-16-15-32-2/h3-14,24,29-30H,15-16H2,1-2H3
InChIKeySJBGTCASYOGYTA-UHFFFAOYSA-N
XLogP4.65
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.65
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'}

Analyze 2-methoxyethyl 4-[[(8-hydroxy-2-methylquinolin-7-yl)-pyridin-2-ylmethyl]amino]benzoate with MolForge

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Related Compounds

2-methyl-7-[(4-propan-2-yloxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol
CID 19233213
propan-2-yl 4-[[(8-hydroxy-2-methylquinolin-7-yl)-phenylmethyl]amino]benzoate
CID 19233040
7-[(4-methoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol;methoxymethane
CID 19260796
ethyl 4-[anilino-(8-hydroxyquinolin-7-yl)methyl]benzoate
CID 23851621
7-[(S)-(4-ethoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol
CID 1185890
2-ethoxyethyl 3-[[(8-hydroxy-2-methylquinolin-7-yl)-phenylmethyl]amino]benzoate
CID 19233096
propan-2-yl 4-[[(8-hydroxy-2-methylquinolin-7-yl)-pyridin-4-ylmethyl]amino]benzoate
CID 19233043
2-ethoxyethyl 4-[[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]amino]benzoate
CID 19233065
propyl 4-(1-pyridin-2-ylethylamino)benzoate
CID 43139647
ethyl 4-[[(8-hydroxyquinolin-7-yl)-(4-nitrophenyl)methyl]amino]benzoate
CID 67126854
7-[(R)-(3-methylanilino)-pyridin-2-ylmethyl]quinolin-8-ol
CID 35026325
2-methyl-7-[(2-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2907464

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-[[(8-hydroxy-2-methylquinolin-7-yl)-pyridin-2-ylmethyl]amino]benzoate?
The IUPAC name of 2-methoxyethyl 4-[[(8-hydroxy-2-methylquinolin-7-yl)-pyridin-2-ylmethyl]amino]benzoate (CID 19233013) is 2-methoxyethyl 4-[[(8-hydroxy-2-methylquinolin-7-yl)-pyridin-2-ylmethyl]amino]benzoate.
What is the SMILES notation for 2-methoxyethyl 4-[[(8-hydroxy-2-methylquinolin-7-yl)-pyridin-2-ylmethyl]amino]benzoate?
The canonical SMILES for 2-methoxyethyl 4-[[(8-hydroxy-2-methylquinolin-7-yl)-pyridin-2-ylmethyl]amino]benzoate is COCCOC(=O)c1ccc(NC(c2ccccn2)c2ccc3ccc(C)nc3c2O)cc1.
What is the InChIKey of 2-methoxyethyl 4-[[(8-hydroxy-2-methylquinolin-7-yl)-pyridin-2-ylmethyl]amino]benzoate?
The InChIKey is SJBGTCASYOGYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-17-6-7-18-10-13-21(25(30)23(18)28-17)24(22-5-3-4-14-27-22)29-20-11-8-19(9-12-20)26(31)33-16-15-32-2/h3-14,24,29-30H,15-16H2,1-2H3.
What are the key properties of 2-methoxyethyl 4-[[(8-hydroxy-2-methylquinolin-7-yl)-pyridin-2-ylmethyl]amino]benzoate?
2-methoxyethyl 4-[[(8-hydroxy-2-methylquinolin-7-yl)-pyridin-2-ylmethyl]amino]benzoate has a molecular weight of 443.50 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-[[(8-hydroxy-2-methylquinolin-7-yl)-pyridin-2-ylmethyl]amino]benzoate is sourced from PubChem (CID 19233013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).