7-[(S)-(4-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol

C23H21N3O2 — CID 2054369

IUPAC7-[(S)-(4-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
SMILESCc1cccc(N[C@@H](c2ccc(O)cc2)c2ccc3ccc(C)nc3c2O)n1
InChIInChI=1S/C23H21N3O2/c1-14-4-3-5-20(24-14)26-21(16-8-11-18(27)12-9-16)19-13-10-17-7-6-15(2)25-22(17)23(19)28/h3-13,21,27-28H,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyGHAJWLCLZNLXNM-NRFANRHFSA-N
MW371.44 g/mol
LogP4.86
Rot. Bonds4

About 7-[(S)-(4-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol

7-[(S)-(4-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol (PubChem CID 2054369) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 7-[(S)-(4-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol.

Molecular Properties

Compound Name7-[(S)-(4-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
PubChem CID2054369
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name7-[(S)-(4-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
SMILESCc1cccc(N[C@@H](c2ccc(O)cc2)c2ccc3ccc(C)nc3c2O)n1
InChIInChI=1S/C23H21N3O2/c1-14-4-3-5-20(24-14)26-21(16-8-11-18(27)12-9-16)19-13-10-17-7-6-15(2)25-22(17)23(19)28/h3-13,21,27-28H,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyGHAJWLCLZNLXNM-NRFANRHFSA-N
XLogP4.86
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-[(4-methoxy-3-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
CID 15993745
7-[(R)-(4-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
CID 1347792
7-[(R)-(4-bromophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
CID 2056411
2-methyl-7-[[(6-methyl-2-pyridinyl)amino]-(2,3,4-trimethoxyphenyl)methyl]quinolin-8-ol
CID 2940765
4-[(8-hydroxy-2-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzaldehyde
CID 154999220
7-[anilino-(4-fluorophenyl)methyl]-2-methylquinolin-8-ol
CID 19233140
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-[(2-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2907464
7-[(3-bromophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
CID 2944009
7-[furan-2-yl-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 19233328
7-[(2-hydroxy-5-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 23879787
7-[(4-fluorophenyl)-(2,4,5-trichloroanilino)methyl]-2-methylquinolin-8-ol
CID 19233032

Frequently Asked Questions

What is the IUPAC name of 7-[(S)-(4-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol?
The IUPAC name of 7-[(S)-(4-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol (CID 2054369) is 7-[(S)-(4-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol.
What is the SMILES notation for 7-[(S)-(4-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol?
The canonical SMILES for 7-[(S)-(4-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol is Cc1cccc(N[C@@H](c2ccc(O)cc2)c2ccc3ccc(C)nc3c2O)n1.
What is the InChIKey of 7-[(S)-(4-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol?
The InChIKey is GHAJWLCLZNLXNM-NRFANRHFSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-14-4-3-5-20(24-14)26-21(16-8-11-18(27)12-9-16)19-13-10-17-7-6-15(2)25-22(17)23(19)28/h3-13,21,27-28H,1-2H3,(H,24,26)/t21-/m0/s1.
What are the key properties of 7-[(S)-(4-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol?
7-[(S)-(4-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol has a molecular weight of 371.44 g/mol, XLogP of 4.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(S)-(4-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol is sourced from PubChem (CID 2054369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).