7-[(R)-(4-chlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol

C21H17ClN3O+ — CID 6980884

IUPAC7-[(R)-(4-chlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol
SMILESOc1c([C@H](Nc2cccc[nH+]2)c2ccc(Cl)cc2)ccc2cccnc12
InChIInChI=1S/C21H16ClN3O/c22-16-9-6-15(7-10-16)19(25-18-5-1-2-12-23-18)17-11-8-14-4-3-13-24-20(14)21(17)26/h1-13,19,26H,(H,23,25)/p+1/t19-/m1/s1
InChIKeyRDIURRMJOIJGSL-LJQANCHMSA-O
MW362.84 g/mol
LogP4.61
Rot. Bonds4

About 7-[(R)-(4-chlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol

7-[(R)-(4-chlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol (PubChem CID 6980884) has the molecular formula C21H17ClN3O+ and a molecular weight of 362.84 g/mol. Its IUPAC name is 7-[(R)-(4-chlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(R)-(4-chlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol
PubChem CID6980884
Molecular FormulaC21H17ClN3O+
Molecular Weight362.84 g/mol
Exact Mass362.11
IUPAC Name7-[(R)-(4-chlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol
SMILESOc1c([C@H](Nc2cccc[nH+]2)c2ccc(Cl)cc2)ccc2cccnc12
InChIInChI=1S/C21H16ClN3O/c22-16-9-6-15(7-10-16)19(25-18-5-1-2-12-23-18)17-11-8-14-4-3-13-24-20(14)21(17)26/h1-13,19,26H,(H,23,25)/p+1/t19-/m1/s1
InChIKeyRDIURRMJOIJGSL-LJQANCHMSA-O
XLogP4.61
TPSA59.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[(S)-(4-ethylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol
CID 7106312
7-[(S)-(4-propan-2-yloxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol
CID 7012634
7-[pyridin-1-ium-3-yl-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol
CID 4196680
7-[(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895250
7-[(pyridin-1-ium-2-ylamino)-thiophen-2-ylmethyl]quinolin-8-ol
CID 3625041
7-[(4-chlorophenyl)-(methylamino)methyl]quinolin-8-ol
CID 146474872
7-[(4-chloroanilino)-(4-fluorophenyl)methyl]quinolin-8-ol
CID 19232843
7-[(S)-(3-bromo-4,5-dimethoxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol
CID 7118139
N-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 711204
7-[[(6-methylpyridin-1-ium-2-yl)amino]-pyridin-1-ium-4-ylmethyl]quinolin-8-ol
CID 3642270
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

Frequently Asked Questions

What is the IUPAC name of 7-[(R)-(4-chlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol?
The IUPAC name of 7-[(R)-(4-chlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol (CID 6980884) is 7-[(R)-(4-chlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(R)-(4-chlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(R)-(4-chlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol is Oc1c([C@H](Nc2cccc[nH+]2)c2ccc(Cl)cc2)ccc2cccnc12.
What is the InChIKey of 7-[(R)-(4-chlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol?
The InChIKey is RDIURRMJOIJGSL-LJQANCHMSA-O. The full InChI is InChI=1S/C21H16ClN3O/c22-16-9-6-15(7-10-16)19(25-18-5-1-2-12-23-18)17-11-8-14-4-3-13-24-20(14)21(17)26/h1-13,19,26H,(H,23,25)/p+1/t19-/m1/s1.
What are the key properties of 7-[(R)-(4-chlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol?
7-[(R)-(4-chlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol has a molecular weight of 362.84 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(R)-(4-chlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 6980884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).