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

C23H21N3O — CID 2896251

IUPAC7-[(2,5-dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESCc1ccc(C)c(C(Nc2ccccn2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C23H21N3O/c1-15-8-9-16(2)19(14-15)22(26-20-7-3-4-12-24-20)18-11-10-17-6-5-13-25-21(17)23(18)27/h3-14,22,27H,1-2H3,(H,24,26)
InChIKeySMVGLVQESZULKI-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.15
Rot. Bonds4

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

7-[(2,5-dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (PubChem CID 2896251) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 7-[(2,5-dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(2,5-dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
PubChem CID2896251
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name7-[(2,5-dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESCc1ccc(C)c(C(Nc2ccccn2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C23H21N3O/c1-15-8-9-16(2)19(14-15)22(26-20-7-3-4-12-24-20)18-11-10-17-6-5-13-25-21(17)23(18)27/h3-14,22,27H,1-2H3,(H,24,26)
InChIKeySMVGLVQESZULKI-UHFFFAOYSA-N
XLogP5.15
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.15
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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Frequently Asked Questions

What is the IUPAC name of 7-[(2,5-dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The IUPAC name of 7-[(2,5-dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (CID 2896251) is 7-[(2,5-dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(2,5-dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(2,5-dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is Cc1ccc(C)c(C(Nc2ccccn2)c2ccc3cccnc3c2O)c1.
What is the InChIKey of 7-[(2,5-dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The InChIKey is SMVGLVQESZULKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-15-8-9-16(2)19(14-15)22(26-20-7-3-4-12-24-20)18-11-10-17-6-5-13-25-21(17)23(18)27/h3-14,22,27H,1-2H3,(H,24,26).
What are the key properties of 7-[(2,5-dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
7-[(2,5-dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol has a molecular weight of 355.44 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,5-dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 2896251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).