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

C21H16ClN3O — CID 2895250

IUPAC7-[(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESOc1c(C(Nc2ccccn2)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)
InChIKeyRDIURRMJOIJGSL-UHFFFAOYSA-N
MW361.83 g/mol
LogP5.19
Rot. Bonds4

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

7-[(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (PubChem CID 2895250) has the molecular formula C21H16ClN3O and a molecular weight of 361.83 g/mol. Its IUPAC name is 7-[(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
PubChem CID2895250
Molecular FormulaC21H16ClN3O
Molecular Weight361.83 g/mol
Exact Mass361.10
IUPAC Name7-[(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESOc1c(C(Nc2ccccn2)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)
InChIKeyRDIURRMJOIJGSL-UHFFFAOYSA-N
XLogP5.19
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.83
LogP ≤ 55.19
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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Related Compounds

7-[(3,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 67987463
7-[(4-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895950
7-[(S)-(4-ethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 1222215
7-[(S)-(2-chloro-6-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 40547635
7-[(2-chloro-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 3388948
7-[(R)-(4-chlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol
CID 6980884
7-[(4-chlorophenyl)-(methylamino)methyl]quinolin-8-ol
CID 146474872
4-[(8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]-N-methylbenzamide
CID 146475050
7-[(4-chloroanilino)-(4-fluorophenyl)methyl]quinolin-8-ol
CID 19232843
N-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 711204
7-[(R)-(3-bromo-4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 26366116
7-[(R)-(5-methylthiophen-2-yl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 1228836

Frequently Asked Questions

What is the IUPAC name of 7-[(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The IUPAC name of 7-[(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (CID 2895250) is 7-[(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is Oc1c(C(Nc2ccccn2)c2ccc(Cl)cc2)ccc2cccnc12.
What is the InChIKey of 7-[(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The InChIKey is RDIURRMJOIJGSL-UHFFFAOYSA-N. 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).
What are the key properties of 7-[(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
7-[(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol has a molecular weight of 361.83 g/mol, XLogP of 5.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 2895250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).