7-[(4-methoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol;methoxymethane

C24H25N3O3 — CID 19260796

IUPAC7-[(4-methoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol;methoxymethane
SMILESCOC.COc1ccc(NC(c2ccccn2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C22H19N3O2.C2H6O/c1-27-17-10-8-16(9-11-17)25-21(19-6-2-3-13-23-19)18-12-7-15-5-4-14-24-20(15)22(18)26;1-3-2/h2-14,21,25-26H,1H3;1-2H3
InChIKeyLUYXICMCWOZQJX-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.81
Rot. Bonds5

About 7-[(4-methoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol;methoxymethane

7-[(4-methoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol;methoxymethane (PubChem CID 19260796) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 7-[(4-methoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol;methoxymethane.

Molecular Properties

Compound Name7-[(4-methoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol;methoxymethane
PubChem CID19260796
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name7-[(4-methoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol;methoxymethane
SMILESCOC.COc1ccc(NC(c2ccccn2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C22H19N3O2.C2H6O/c1-27-17-10-8-16(9-11-17)25-21(19-6-2-3-13-23-19)18-12-7-15-5-4-14-24-20(15)22(18)26;1-3-2/h2-14,21,25-26H,1H3;1-2H3
InChIKeyLUYXICMCWOZQJX-UHFFFAOYSA-N
XLogP4.81
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

7-[(S)-(4-ethoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol
CID 1185890
7-[(R)-(3-methylanilino)-pyridin-2-ylmethyl]quinolin-8-ol
CID 35026325
2-methyl-7-[(4-propan-2-yloxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol
CID 19233213
7-[(S)-(2-ethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol
CID 7453622
7-[(4-ethoxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol
CID 16644263
7-[(S)-(2,4-dimethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol
CID 1180433
7-[(4-ethoxyanilino)-(4-fluorophenyl)methyl]quinolin-8-ol
CID 19232821
7-[(4-propan-2-yloxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol
CID 19233207
N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]benzamide
CID 1369908
2-methoxyethyl 4-[[(8-hydroxy-2-methylquinolin-7-yl)-pyridin-2-ylmethyl]amino]benzoate
CID 19233013
N-[(R)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 2225663
7-[2-(4-ethoxyphenyl)-1-pyridin-2-ylethyl]quinolin-8-ol
CID 58542925

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol;methoxymethane?
The IUPAC name of 7-[(4-methoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol;methoxymethane (CID 19260796) is 7-[(4-methoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol;methoxymethane.
What is the SMILES notation for 7-[(4-methoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol;methoxymethane?
The canonical SMILES for 7-[(4-methoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol;methoxymethane is COC.COc1ccc(NC(c2ccccn2)c2ccc3cccnc3c2O)cc1.
What is the InChIKey of 7-[(4-methoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol;methoxymethane?
The InChIKey is LUYXICMCWOZQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2.C2H6O/c1-27-17-10-8-16(9-11-17)25-21(19-6-2-3-13-23-19)18-12-7-15-5-4-14-24-20(15)22(18)26;1-3-2/h2-14,21,25-26H,1H3;1-2H3.
What are the key properties of 7-[(4-methoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol;methoxymethane?
7-[(4-methoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol;methoxymethane has a molecular weight of 403.48 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol;methoxymethane is sourced from PubChem (CID 19260796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).