7-[(2,5-dimethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol

C24H23N3O — CID 2907450

IUPAC7-[(2,5-dimethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
SMILESCc1ccnc(NC(c2cc(C)ccc2C)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C24H23N3O/c1-15-6-7-17(3)20(13-15)23(27-21-14-16(2)10-12-25-21)19-9-8-18-5-4-11-26-22(18)24(19)28/h4-14,23,28H,1-3H3,(H,25,27)
InChIKeyMJOVUJAJAWRAIY-UHFFFAOYSA-N
MW369.47 g/mol
LogP5.46
Rot. Bonds4

About 7-[(2,5-dimethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol

7-[(2,5-dimethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol (PubChem CID 2907450) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 7-[(2,5-dimethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(2,5-dimethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
PubChem CID2907450
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name7-[(2,5-dimethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
SMILESCc1ccnc(NC(c2cc(C)ccc2C)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C24H23N3O/c1-15-6-7-17(3)20(13-15)23(27-21-14-16(2)10-12-25-21)19-9-8-18-5-4-11-26-22(18)24(19)28/h4-14,23,28H,1-3H3,(H,25,27)
InChIKeyMJOVUJAJAWRAIY-UHFFFAOYSA-N
XLogP5.46
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.46
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)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
The IUPAC name of 7-[(2,5-dimethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol (CID 2907450) is 7-[(2,5-dimethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(2,5-dimethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
The canonical SMILES for 7-[(2,5-dimethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol is Cc1ccnc(NC(c2cc(C)ccc2C)c2ccc3cccnc3c2O)c1.
What is the InChIKey of 7-[(2,5-dimethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
The InChIKey is MJOVUJAJAWRAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c1-15-6-7-17(3)20(13-15)23(27-21-14-16(2)10-12-25-21)19-9-8-18-5-4-11-26-22(18)24(19)28/h4-14,23,28H,1-3H3,(H,25,27).
What are the key properties of 7-[(2,5-dimethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
7-[(2,5-dimethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol has a molecular weight of 369.47 g/mol, XLogP of 5.46, 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)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol is sourced from PubChem (CID 2907450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).