5-chloro-7-[(R)-(2,5-dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol

C23H20ClN3O — CID 2221516

IUPAC5-chloro-7-[(R)-(2,5-dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESCc1ccc(C)c([C@@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2O)c1
InChIInChI=1S/C23H20ClN3O/c1-14-8-9-15(2)17(12-14)21(27-20-7-3-4-10-25-20)18-13-19(24)16-6-5-11-26-22(16)23(18)28/h3-13,21,28H,1-2H3,(H,25,27)/t21-/m1/s1
InChIKeyJWBUCSUIVCHQRM-OAQYLSRUSA-N
MW389.89 g/mol
LogP5.81
Rot. Bonds4

About 5-chloro-7-[(R)-(2,5-dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol

5-chloro-7-[(R)-(2,5-dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (PubChem CID 2221516) has the molecular formula C23H20ClN3O and a molecular weight of 389.89 g/mol. Its IUPAC name is 5-chloro-7-[(R)-(2,5-dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-chloro-7-[(R)-(2,5-dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
PubChem CID2221516
Molecular FormulaC23H20ClN3O
Molecular Weight389.89 g/mol
Exact Mass389.13
IUPAC Name5-chloro-7-[(R)-(2,5-dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESCc1ccc(C)c([C@@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2O)c1
InChIInChI=1S/C23H20ClN3O/c1-14-8-9-15(2)17(12-14)21(27-20-7-3-4-10-25-20)18-13-19(24)16-6-5-11-26-22(16)23(18)28/h3-13,21,28H,1-2H3,(H,25,27)/t21-/m1/s1
InChIKeyJWBUCSUIVCHQRM-OAQYLSRUSA-N
XLogP5.81
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.89
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-chloro-7-[(R)-(2,5-dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol with MolForge

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Related Compounds

5-chloro-7-[(2-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 45037803
5-chloro-7-[(2-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2961169
5-chloro-7-[(S)-furan-2-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 1301420
5-methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 147199836
ethyl 4-[(5-chloro-8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoate
CID 174319482
5-chloro-7-[(4-hydroxy-3-iodo-5-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2966011
7-[(S)-(3-bromo-4-hydroxy-5-methoxyphenyl)-(pyridin-2-ylamino)methyl]-5-chloroquinolin-8-ol
CID 2221429
7-[(3-bromo-4-hydroxy-5-methoxyphenyl)-(pyridin-2-ylamino)methyl]-5-chloroquinolin-8-ol
CID 2966018
5-chloro-7-[(4-prop-2-enoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2966049
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-methylpropanamide
CID 3138762
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]acetamide
CID 2920402
2-[7-[(2,3-dichlorophenyl)-(pyridin-2-ylamino)methyl]-8-hydroxyquinolin-5-yl]acetic acid
CID 174321396

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[(R)-(2,5-dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The IUPAC name of 5-chloro-7-[(R)-(2,5-dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (CID 2221516) is 5-chloro-7-[(R)-(2,5-dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 5-chloro-7-[(R)-(2,5-dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The canonical SMILES for 5-chloro-7-[(R)-(2,5-dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is Cc1ccc(C)c([C@@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2O)c1.
What is the InChIKey of 5-chloro-7-[(R)-(2,5-dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The InChIKey is JWBUCSUIVCHQRM-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H20ClN3O/c1-14-8-9-15(2)17(12-14)21(27-20-7-3-4-10-25-20)18-13-19(24)16-6-5-11-26-22(16)23(18)28/h3-13,21,28H,1-2H3,(H,25,27)/t21-/m1/s1.
What are the key properties of 5-chloro-7-[(R)-(2,5-dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
5-chloro-7-[(R)-(2,5-dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol has a molecular weight of 389.89 g/mol, XLogP of 5.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[(R)-(2,5-dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 2221516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).