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

C23H21N3O2 — CID 1347792

IUPAC7-[(R)-(4-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
SMILESCc1ccnc(N[C@H](c2ccc(O)cc2)c2ccc3ccc(C)nc3c2O)c1
InChIInChI=1S/C23H21N3O2/c1-14-11-12-24-20(13-14)26-21(16-5-8-18(27)9-6-16)19-10-7-17-4-3-15(2)25-22(17)23(19)28/h3-13,21,27-28H,1-2H3,(H,24,26)/t21-/m1/s1
InChIKeyRUPKWOYNNNRMPC-OAQYLSRUSA-N
MW371.44 g/mol
LogP4.86
Rot. Bonds4

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

7-[(R)-(4-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol (PubChem CID 1347792) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 7-[(R)-(4-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol.

Molecular Properties

Compound Name7-[(R)-(4-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
PubChem CID1347792
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name7-[(R)-(4-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
SMILESCc1ccnc(N[C@H](c2ccc(O)cc2)c2ccc3ccc(C)nc3c2O)c1
InChIInChI=1S/C23H21N3O2/c1-14-11-12-24-20(13-14)26-21(16-5-8-18(27)9-6-16)19-10-7-17-4-3-15(2)25-22(17)23(19)28/h3-13,21,27-28H,1-2H3,(H,24,26)/t21-/m1/s1
InChIKeyRUPKWOYNNNRMPC-OAQYLSRUSA-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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Frequently Asked Questions

What is the IUPAC name of 7-[(R)-(4-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol?
The IUPAC name of 7-[(R)-(4-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol (CID 1347792) is 7-[(R)-(4-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol.
What is the SMILES notation for 7-[(R)-(4-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol?
The canonical SMILES for 7-[(R)-(4-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol is Cc1ccnc(N[C@H](c2ccc(O)cc2)c2ccc3ccc(C)nc3c2O)c1.
What is the InChIKey of 7-[(R)-(4-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol?
The InChIKey is RUPKWOYNNNRMPC-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-14-11-12-24-20(13-14)26-21(16-5-8-18(27)9-6-16)19-10-7-17-4-3-15(2)25-22(17)23(19)28/h3-13,21,27-28H,1-2H3,(H,24,26)/t21-/m1/s1.
What are the key properties of 7-[(R)-(4-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol?
7-[(R)-(4-hydroxyphenyl)-[(4-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-[(R)-(4-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol is sourced from PubChem (CID 1347792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).