7-[(R)-(2,3-dimethoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol

C25H26N3O3+ — CID 7348936

IUPAC7-[(R)-(2,3-dimethoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol
SMILESCOc1cccc([C@H](Nc2cccc(C)[nH+]2)c2ccc3ccc(C)nc3c2O)c1OC
InChIInChI=1S/C25H25N3O3/c1-15-7-5-10-21(26-15)28-23(19-8-6-9-20(30-3)25(19)31-4)18-14-13-17-12-11-16(2)27-22(17)24(18)29/h5-14,23,29H,1-4H3,(H,26,28)/p+1/t23-/m1/s1
InChIKeyUCMJCWYWSCWETO-HSZRJFAPSA-O
MW416.50 g/mol
LogP4.59
Rot. Bonds6

About 7-[(R)-(2,3-dimethoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol

7-[(R)-(2,3-dimethoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol (PubChem CID 7348936) has the molecular formula C25H26N3O3+ and a molecular weight of 416.50 g/mol. Its IUPAC name is 7-[(R)-(2,3-dimethoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol.

Molecular Properties

Compound Name7-[(R)-(2,3-dimethoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol
PubChem CID7348936
Molecular FormulaC25H26N3O3+
Molecular Weight416.50 g/mol
Exact Mass416.20
IUPAC Name7-[(R)-(2,3-dimethoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol
SMILESCOc1cccc([C@H](Nc2cccc(C)[nH+]2)c2ccc3ccc(C)nc3c2O)c1OC
InChIInChI=1S/C25H25N3O3/c1-15-7-5-10-21(26-15)28-23(19-8-6-9-20(30-3)25(19)31-4)18-14-13-17-12-11-16(2)27-22(17)24(18)29/h5-14,23,29H,1-4H3,(H,26,28)/p+1/t23-/m1/s1
InChIKeyUCMJCWYWSCWETO-HSZRJFAPSA-O
XLogP4.59
TPSA77.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-[(R)-(2,3-dimethoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol with MolForge

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Launch Full Analysis

Related Compounds

7-[(R)-(2-methoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol
CID 7307119
2-methyl-7-[[(6-methyl-2-pyridinyl)amino]-(2,3,4-trimethoxyphenyl)methyl]quinolin-8-ol
CID 2940765
7-[(S)-(2-chloro-6-fluorophenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol
CID 7031432
7-[(R)-(3-ethoxy-2-hydroxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methylquinolin-8-ol
CID 7500221
7-[(R)-(4-methoxy-3-methylphenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methylquinolin-8-ol
CID 6980594
2-methyl-7-[(R)-[(6-methylpyridin-1-ium-2-yl)amino]-(3-prop-2-enoxyphenyl)methyl]quinolin-8-ol
CID 7029562
7-[(4-methoxy-3-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
CID 15993745
7-[[(6-methylpyridin-1-ium-2-yl)amino]-pyridin-1-ium-4-ylmethyl]quinolin-8-ol
CID 3642270
7-[(S)-(3-fluorophenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol
CID 7012652
7-[(3,4-dimethoxyanilino)-pyridin-4-ylmethyl]-2-methylquinolin-8-ol
CID 19233281
7-[furan-2-yl-(4-methoxyanilino)methyl]-2-methylquinolin-8-ol
CID 19232894
2-methyl-7-[(2-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2907464

Frequently Asked Questions

What is the IUPAC name of 7-[(R)-(2,3-dimethoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol?
The IUPAC name of 7-[(R)-(2,3-dimethoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol (CID 7348936) is 7-[(R)-(2,3-dimethoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol.
What is the SMILES notation for 7-[(R)-(2,3-dimethoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol?
The canonical SMILES for 7-[(R)-(2,3-dimethoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol is COc1cccc([C@H](Nc2cccc(C)[nH+]2)c2ccc3ccc(C)nc3c2O)c1OC.
What is the InChIKey of 7-[(R)-(2,3-dimethoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol?
The InChIKey is UCMJCWYWSCWETO-HSZRJFAPSA-O. The full InChI is InChI=1S/C25H25N3O3/c1-15-7-5-10-21(26-15)28-23(19-8-6-9-20(30-3)25(19)31-4)18-14-13-17-12-11-16(2)27-22(17)24(18)29/h5-14,23,29H,1-4H3,(H,26,28)/p+1/t23-/m1/s1.
What are the key properties of 7-[(R)-(2,3-dimethoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol?
7-[(R)-(2,3-dimethoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol has a molecular weight of 416.50 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(R)-(2,3-dimethoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol is sourced from PubChem (CID 7348936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).