7-[(R)-(2-methoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol

C24H24N3O2+ — CID 7307119

IUPAC7-[(R)-(2-methoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol
SMILESCOc1ccccc1[C@H](Nc1cccc(C)[nH+]1)c1ccc2ccc(C)nc2c1O
InChIInChI=1S/C24H23N3O2/c1-15-7-6-10-21(25-15)27-23(18-8-4-5-9-20(18)29-3)19-14-13-17-12-11-16(2)26-22(17)24(19)28/h4-14,23,28H,1-3H3,(H,25,27)/p+1/t23-/m0/s1
InChIKeyJBJMZAKMNZUUJB-QHCPKHFHSA-O
MW386.48 g/mol
LogP4.58
Rot. Bonds5

About 7-[(R)-(2-methoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol

7-[(R)-(2-methoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol (PubChem CID 7307119) has the molecular formula C24H24N3O2+ and a molecular weight of 386.48 g/mol. Its IUPAC name is 7-[(R)-(2-methoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol.

Molecular Properties

Compound Name7-[(R)-(2-methoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol
PubChem CID7307119
Molecular FormulaC24H24N3O2+
Molecular Weight386.48 g/mol
Exact Mass386.19
IUPAC Name7-[(R)-(2-methoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol
SMILESCOc1ccccc1[C@H](Nc1cccc(C)[nH+]1)c1ccc2ccc(C)nc2c1O
InChIInChI=1S/C24H23N3O2/c1-15-7-6-10-21(25-15)27-23(18-8-4-5-9-20(18)29-3)19-14-13-17-12-11-16(2)26-22(17)24(19)28/h4-14,23,28H,1-3H3,(H,25,27)/p+1/t23-/m0/s1
InChIKeyJBJMZAKMNZUUJB-QHCPKHFHSA-O
XLogP4.58
TPSA68.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(R)-(2-methoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol?
The IUPAC name of 7-[(R)-(2-methoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol (CID 7307119) is 7-[(R)-(2-methoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol.
What is the SMILES notation for 7-[(R)-(2-methoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol?
The canonical SMILES for 7-[(R)-(2-methoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol is COc1ccccc1[C@H](Nc1cccc(C)[nH+]1)c1ccc2ccc(C)nc2c1O.
What is the InChIKey of 7-[(R)-(2-methoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol?
The InChIKey is JBJMZAKMNZUUJB-QHCPKHFHSA-O. The full InChI is InChI=1S/C24H23N3O2/c1-15-7-6-10-21(25-15)27-23(18-8-4-5-9-20(18)29-3)19-14-13-17-12-11-16(2)26-22(17)24(19)28/h4-14,23,28H,1-3H3,(H,25,27)/p+1/t23-/m0/s1.
What are the key properties of 7-[(R)-(2-methoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol?
7-[(R)-(2-methoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol has a molecular weight of 386.48 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(R)-(2-methoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol is sourced from PubChem (CID 7307119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).