7-[(R)-(3-methylanilino)-pyridin-2-ylmethyl]quinolin-8-ol

C22H19N3O — CID 35026325

IUPAC7-[(R)-(3-methylanilino)-pyridin-2-ylmethyl]quinolin-8-ol
SMILESCc1cccc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C22H19N3O/c1-15-6-4-8-17(14-15)25-21(19-9-2-3-12-23-19)18-11-10-16-7-5-13-24-20(16)22(18)26/h2-14,21,25-26H,1H3/t21-/m1/s1
InChIKeyLYVBPOJKSXWZQY-OAQYLSRUSA-N
MW341.41 g/mol
LogP4.85
Rot. Bonds4

About 7-[(R)-(3-methylanilino)-pyridin-2-ylmethyl]quinolin-8-ol

7-[(R)-(3-methylanilino)-pyridin-2-ylmethyl]quinolin-8-ol (PubChem CID 35026325) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 7-[(R)-(3-methylanilino)-pyridin-2-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(R)-(3-methylanilino)-pyridin-2-ylmethyl]quinolin-8-ol
PubChem CID35026325
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name7-[(R)-(3-methylanilino)-pyridin-2-ylmethyl]quinolin-8-ol
SMILESCc1cccc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C22H19N3O/c1-15-6-4-8-17(14-15)25-21(19-9-2-3-12-23-19)18-11-10-16-7-5-13-24-20(16)22(18)26/h2-14,21,25-26H,1H3/t21-/m1/s1
InChIKeyLYVBPOJKSXWZQY-OAQYLSRUSA-N
XLogP4.85
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.85
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-[(S)-(2,4-dimethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol
CID 1180433
7-[(3-methylanilino)-thiophen-2-ylmethyl]quinolin-8-ol
CID 19232874
7-[(4-methoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol;methoxymethane
CID 19260796
7-[(S)-(4-ethoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol
CID 1185890
7-[(3-hydroxy-4-methoxyphenyl)-(3-methylanilino)methyl]quinolin-8-ol
CID 131971975
7-[(S)-(2-ethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol
CID 7453622
7-[phenyl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 3056881
N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methylbenzamide
CID 146474984
2-methyl-7-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]quinolin-8-ol;2-methyl-7-[[(6-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol;7-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]quinolin-8-ol;7-[[(6-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol;7-[pyridin-2-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol;7-[pyridin-3-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 157167249
2-methyl-7-[(4-propan-2-yloxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol
CID 19233213
7-[(2,4-dichlorophenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol
CID 58543190
7-[(2-hydroxy-5-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 23879787

Frequently Asked Questions

What is the IUPAC name of 7-[(R)-(3-methylanilino)-pyridin-2-ylmethyl]quinolin-8-ol?
The IUPAC name of 7-[(R)-(3-methylanilino)-pyridin-2-ylmethyl]quinolin-8-ol (CID 35026325) is 7-[(R)-(3-methylanilino)-pyridin-2-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 7-[(R)-(3-methylanilino)-pyridin-2-ylmethyl]quinolin-8-ol?
The canonical SMILES for 7-[(R)-(3-methylanilino)-pyridin-2-ylmethyl]quinolin-8-ol is Cc1cccc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2O)c1.
What is the InChIKey of 7-[(R)-(3-methylanilino)-pyridin-2-ylmethyl]quinolin-8-ol?
The InChIKey is LYVBPOJKSXWZQY-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H19N3O/c1-15-6-4-8-17(14-15)25-21(19-9-2-3-12-23-19)18-11-10-16-7-5-13-24-20(16)22(18)26/h2-14,21,25-26H,1H3/t21-/m1/s1.
What are the key properties of 7-[(R)-(3-methylanilino)-pyridin-2-ylmethyl]quinolin-8-ol?
7-[(R)-(3-methylanilino)-pyridin-2-ylmethyl]quinolin-8-ol has a molecular weight of 341.41 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(R)-(3-methylanilino)-pyridin-2-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 35026325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).