7-[[(6-methylpyridin-1-ium-2-yl)amino]-pyridin-1-ium-4-ylmethyl]quinolin-8-ol

C21H20N4O+2 — CID 3642270

IUPAC7-[[(6-methylpyridin-1-ium-2-yl)amino]-pyridin-1-ium-4-ylmethyl]quinolin-8-ol
SMILESCc1cccc(NC(c2cc[nH+]cc2)c2ccc3cccnc3c2O)[nH+]1
InChIInChI=1S/C21H18N4O/c1-14-4-2-6-18(24-14)25-19(16-9-12-22-13-10-16)17-8-7-15-5-3-11-23-20(15)21(17)26/h2-13,19,26H,1H3,(H,24,25)/p+2
InChIKeySTROMGIFIYNBGS-UHFFFAOYSA-P
MW344.42 g/mol
LogP3.08
Rot. Bonds4

About 7-[[(6-methylpyridin-1-ium-2-yl)amino]-pyridin-1-ium-4-ylmethyl]quinolin-8-ol

7-[[(6-methylpyridin-1-ium-2-yl)amino]-pyridin-1-ium-4-ylmethyl]quinolin-8-ol (PubChem CID 3642270) has the molecular formula C21H20N4O+2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 7-[[(6-methylpyridin-1-ium-2-yl)amino]-pyridin-1-ium-4-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[[(6-methylpyridin-1-ium-2-yl)amino]-pyridin-1-ium-4-ylmethyl]quinolin-8-ol
PubChem CID3642270
Molecular FormulaC21H20N4O+2
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name7-[[(6-methylpyridin-1-ium-2-yl)amino]-pyridin-1-ium-4-ylmethyl]quinolin-8-ol
SMILESCc1cccc(NC(c2cc[nH+]cc2)c2ccc3cccnc3c2O)[nH+]1
InChIInChI=1S/C21H18N4O/c1-14-4-2-6-18(24-14)25-19(16-9-12-22-13-10-16)17-8-7-15-5-3-11-23-20(15)21(17)26/h2-13,19,26H,1H3,(H,24,25)/p+2
InChIKeySTROMGIFIYNBGS-UHFFFAOYSA-P
XLogP3.08
TPSA73.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-[[(6-methylpyridin-1-ium-2-yl)amino]-pyridin-1-ium-4-ylmethyl]quinolin-8-ol with MolForge

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Related Compounds

7-[(S)-(3-fluorophenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol
CID 7012652
7-[(R)-(4-chlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol
CID 6980884
7-[(S)-(4-ethylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol
CID 7106312
7-[pyridin-1-ium-3-yl-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol
CID 4196680
7-[(S)-(4-propan-2-yloxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol
CID 7012634
7-[(4-fluorophenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-1-ium-8-ol
CID 4748932
7-[(R)-(2,6-dichlorophenyl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol
CID 7031422
7-[(S)-[(4-methylpyridin-1-ium-2-yl)amino]-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CID 7025586
7-[(R)-(2-methoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol
CID 7307119
7-[(S)-(3-bromo-4,5-dimethoxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol
CID 7118139
2-methyl-7-[(R)-[(6-methylpyridin-1-ium-2-yl)amino]-(3-prop-2-enoxyphenyl)methyl]quinolin-8-ol
CID 7029562
7-[(S)-(2-chloro-6-fluorophenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol
CID 7031432

Frequently Asked Questions

What is the IUPAC name of 7-[[(6-methylpyridin-1-ium-2-yl)amino]-pyridin-1-ium-4-ylmethyl]quinolin-8-ol?
The IUPAC name of 7-[[(6-methylpyridin-1-ium-2-yl)amino]-pyridin-1-ium-4-ylmethyl]quinolin-8-ol (CID 3642270) is 7-[[(6-methylpyridin-1-ium-2-yl)amino]-pyridin-1-ium-4-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 7-[[(6-methylpyridin-1-ium-2-yl)amino]-pyridin-1-ium-4-ylmethyl]quinolin-8-ol?
The canonical SMILES for 7-[[(6-methylpyridin-1-ium-2-yl)amino]-pyridin-1-ium-4-ylmethyl]quinolin-8-ol is Cc1cccc(NC(c2cc[nH+]cc2)c2ccc3cccnc3c2O)[nH+]1.
What is the InChIKey of 7-[[(6-methylpyridin-1-ium-2-yl)amino]-pyridin-1-ium-4-ylmethyl]quinolin-8-ol?
The InChIKey is STROMGIFIYNBGS-UHFFFAOYSA-P. The full InChI is InChI=1S/C21H18N4O/c1-14-4-2-6-18(24-14)25-19(16-9-12-22-13-10-16)17-8-7-15-5-3-11-23-20(15)21(17)26/h2-13,19,26H,1H3,(H,24,25)/p+2.
What are the key properties of 7-[[(6-methylpyridin-1-ium-2-yl)amino]-pyridin-1-ium-4-ylmethyl]quinolin-8-ol?
7-[[(6-methylpyridin-1-ium-2-yl)amino]-pyridin-1-ium-4-ylmethyl]quinolin-8-ol has a molecular weight of 344.42 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(6-methylpyridin-1-ium-2-yl)amino]-pyridin-1-ium-4-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 3642270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).