7-[(3-chlorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol

C22H18ClN3O — CID 2895830

IUPAC7-[(3-chlorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
SMILESCc1cccc(NC(c2cccc(Cl)c2)c2ccc3cccnc3c2O)n1
InChIInChI=1S/C22H18ClN3O/c1-14-5-2-9-19(25-14)26-20(16-6-3-8-17(23)13-16)18-11-10-15-7-4-12-24-21(15)22(18)27/h2-13,20,27H,1H3,(H,25,26)
InChIKeyAQUHDFIBNORODJ-UHFFFAOYSA-N
MW375.86 g/mol
LogP5.50
Rot. Bonds4

About 7-[(3-chlorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol

7-[(3-chlorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol (PubChem CID 2895830) has the molecular formula C22H18ClN3O and a molecular weight of 375.86 g/mol. Its IUPAC name is 7-[(3-chlorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(3-chlorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
PubChem CID2895830
Molecular FormulaC22H18ClN3O
Molecular Weight375.86 g/mol
Exact Mass375.11
IUPAC Name7-[(3-chlorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
SMILESCc1cccc(NC(c2cccc(Cl)c2)c2ccc3cccnc3c2O)n1
InChIInChI=1S/C22H18ClN3O/c1-14-5-2-9-19(25-14)26-20(16-6-3-8-17(23)13-16)18-11-10-15-7-4-12-24-21(15)22(18)27/h2-13,20,27H,1H3,(H,25,26)
InChIKeyAQUHDFIBNORODJ-UHFFFAOYSA-N
XLogP5.50
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.86
LogP ≤ 55.50
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-[(3-chlorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
The IUPAC name of 7-[(3-chlorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol (CID 2895830) is 7-[(3-chlorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(3-chlorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
The canonical SMILES for 7-[(3-chlorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol is Cc1cccc(NC(c2cccc(Cl)c2)c2ccc3cccnc3c2O)n1.
What is the InChIKey of 7-[(3-chlorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
The InChIKey is AQUHDFIBNORODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O/c1-14-5-2-9-19(25-14)26-20(16-6-3-8-17(23)13-16)18-11-10-15-7-4-12-24-21(15)22(18)27/h2-13,20,27H,1H3,(H,25,26).
What are the key properties of 7-[(3-chlorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
7-[(3-chlorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol has a molecular weight of 375.86 g/mol, XLogP of 5.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-chlorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol is sourced from PubChem (CID 2895830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).