7-[[(4-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]quinolin-1-ium-8-ol

C21H19N4O+ — CID 4201886

IUPAC7-[[(4-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]quinolin-1-ium-8-ol
SMILESCc1ccnc(NC(c2ccccn2)c2ccc3ccc[nH+]c3c2O)c1
InChIInChI=1S/C21H18N4O/c1-14-9-12-23-18(13-14)25-20(17-6-2-3-10-22-17)16-8-7-15-5-4-11-24-19(15)21(16)26/h2-13,20,26H,1H3,(H,23,25)/p+1
InChIKeyIOQCYUYXGUSASM-UHFFFAOYSA-O
MW343.41 g/mol
LogP3.66
Rot. Bonds4

About 7-[[(4-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]quinolin-1-ium-8-ol

7-[[(4-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]quinolin-1-ium-8-ol (PubChem CID 4201886) has the molecular formula C21H19N4O+ and a molecular weight of 343.41 g/mol. Its IUPAC name is 7-[[(4-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]quinolin-1-ium-8-ol.

Molecular Properties

Compound Name7-[[(4-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]quinolin-1-ium-8-ol
PubChem CID4201886
Molecular FormulaC21H19N4O+
Molecular Weight343.41 g/mol
Exact Mass343.16
IUPAC Name7-[[(4-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]quinolin-1-ium-8-ol
SMILESCc1ccnc(NC(c2ccccn2)c2ccc3ccc[nH+]c3c2O)c1
InChIInChI=1S/C21H18N4O/c1-14-9-12-23-18(13-14)25-20(17-6-2-3-10-22-17)16-8-7-15-5-4-11-24-19(15)21(16)26/h2-13,20,26H,1H3,(H,23,25)/p+1
InChIKeyIOQCYUYXGUSASM-UHFFFAOYSA-O
XLogP3.66
TPSA72.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-[[(4-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]quinolin-1-ium-8-ol with MolForge

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Related Compounds

7-[(4-ethoxy-3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-1-ium-8-ol
CID 3388238
7-[(S)-(2,4-dimethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol
CID 1180433
7-[(R)-(3-methylanilino)-pyridin-2-ylmethyl]quinolin-8-ol
CID 35026325
7-[(R)-(2-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 7500417
7-[(R)-[(4-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol
CID 703326
7-[(4-ethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 2906981
7-[(S)-[4-(dimethylamino)phenyl]-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 7012609
7-[(R)-(2-chloro-6-fluorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 1335597
7-[(4-ethoxy-3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 2906710
7-[(3-ethoxy-4-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 2907339
7-[(3-ethoxy-4-phenylmethoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 2895088
7-[(R)-(4-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
CID 1347792

Frequently Asked Questions

What is the IUPAC name of 7-[[(4-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]quinolin-1-ium-8-ol?
The IUPAC name of 7-[[(4-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]quinolin-1-ium-8-ol (CID 4201886) is 7-[[(4-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]quinolin-1-ium-8-ol.
What is the SMILES notation for 7-[[(4-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]quinolin-1-ium-8-ol?
The canonical SMILES for 7-[[(4-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]quinolin-1-ium-8-ol is Cc1ccnc(NC(c2ccccn2)c2ccc3ccc[nH+]c3c2O)c1.
What is the InChIKey of 7-[[(4-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]quinolin-1-ium-8-ol?
The InChIKey is IOQCYUYXGUSASM-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H18N4O/c1-14-9-12-23-18(13-14)25-20(17-6-2-3-10-22-17)16-8-7-15-5-4-11-24-19(15)21(16)26/h2-13,20,26H,1H3,(H,23,25)/p+1.
What are the key properties of 7-[[(4-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]quinolin-1-ium-8-ol?
7-[[(4-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]quinolin-1-ium-8-ol has a molecular weight of 343.41 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(4-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]quinolin-1-ium-8-ol is sourced from PubChem (CID 4201886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).