7-[(R)-(4-bromophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol

C22H18BrN3O — CID 2056411

IUPAC7-[(R)-(4-bromophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
SMILESCc1ccc2ccc([C@H](Nc3ccccn3)c3ccc(Br)cc3)c(O)c2n1
InChIInChI=1S/C22H18BrN3O/c1-14-5-6-16-9-12-18(22(27)21(16)25-14)20(15-7-10-17(23)11-8-15)26-19-4-2-3-13-24-19/h2-13,20,27H,1H3,(H,24,26)/t20-/m1/s1
InChIKeyWVDJYHRKJJUSFE-HXUWFJFHSA-N
MW420.31 g/mol
LogP5.61
Rot. Bonds4

About 7-[(R)-(4-bromophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol

7-[(R)-(4-bromophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol (PubChem CID 2056411) has the molecular formula C22H18BrN3O and a molecular weight of 420.31 g/mol. Its IUPAC name is 7-[(R)-(4-bromophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol.

Molecular Properties

Compound Name7-[(R)-(4-bromophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
PubChem CID2056411
Molecular FormulaC22H18BrN3O
Molecular Weight420.31 g/mol
Exact Mass419.06
IUPAC Name7-[(R)-(4-bromophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
SMILESCc1ccc2ccc([C@H](Nc3ccccn3)c3ccc(Br)cc3)c(O)c2n1
InChIInChI=1S/C22H18BrN3O/c1-14-5-6-16-9-12-18(22(27)21(16)25-14)20(15-7-10-17(23)11-8-15)26-19-4-2-3-13-24-19/h2-13,20,27H,1H3,(H,24,26)/t20-/m1/s1
InChIKeyWVDJYHRKJJUSFE-HXUWFJFHSA-N
XLogP5.61
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.31
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-[(R)-(4-bromophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(8-hydroxy-2-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzaldehyde
CID 154999220
2-methyl-7-[(2-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2907464
7-[(4-ethoxy-3-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
CID 2922621
7-[(R)-(3-ethoxy-4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
CID 7045638
7-[(S)-(4-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
CID 2054369
7-[(3-bromophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
CID 2944009
7-[(R)-(4-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
CID 1347792
7-[(4-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895950
7-[(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895250
7-[(S)-(4-ethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 1222215
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
4-[(8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]-N-methylbenzamide
CID 146475050

Frequently Asked Questions

What is the IUPAC name of 7-[(R)-(4-bromophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol?
The IUPAC name of 7-[(R)-(4-bromophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol (CID 2056411) is 7-[(R)-(4-bromophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol.
What is the SMILES notation for 7-[(R)-(4-bromophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol?
The canonical SMILES for 7-[(R)-(4-bromophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol is Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccc(Br)cc3)c(O)c2n1.
What is the InChIKey of 7-[(R)-(4-bromophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol?
The InChIKey is WVDJYHRKJJUSFE-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H18BrN3O/c1-14-5-6-16-9-12-18(22(27)21(16)25-14)20(15-7-10-17(23)11-8-15)26-19-4-2-3-13-24-19/h2-13,20,27H,1H3,(H,24,26)/t20-/m1/s1.
What are the key properties of 7-[(R)-(4-bromophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol?
7-[(R)-(4-bromophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol has a molecular weight of 420.31 g/mol, XLogP of 5.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(R)-(4-bromophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol is sourced from PubChem (CID 2056411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).