3-[(3-chlorophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol

C22H18ClN3O — CID 67069753

IUPAC3-[(3-chlorophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
SMILESCc1nc2c(O)cccc2cc1C(Nc1ccccn1)c1cccc(Cl)c1
InChIInChI=1S/C22H18ClN3O/c1-14-18(13-16-7-5-9-19(27)22(16)25-14)21(15-6-4-8-17(23)12-15)26-20-10-2-3-11-24-20/h2-13,21,27H,1H3,(H,24,26)
InChIKeyJMQIAUQMHOZEEI-UHFFFAOYSA-N
MW375.86 g/mol
LogP5.50
Rot. Bonds4

About 3-[(3-chlorophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol

3-[(3-chlorophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol (PubChem CID 67069753) has the molecular formula C22H18ClN3O and a molecular weight of 375.86 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol.

Molecular Properties

Compound Name3-[(3-chlorophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
PubChem CID67069753
Molecular FormulaC22H18ClN3O
Molecular Weight375.86 g/mol
Exact Mass375.11
IUPAC Name3-[(3-chlorophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
SMILESCc1nc2c(O)cccc2cc1C(Nc1ccccn1)c1cccc(Cl)c1
InChIInChI=1S/C22H18ClN3O/c1-14-18(13-16-7-5-9-19(27)22(16)25-14)21(15-6-4-8-17(23)12-15)26-20-10-2-3-11-24-20/h2-13,21,27H,1H3,(H,24,26)
InChIKeyJMQIAUQMHOZEEI-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

Analyze 3-[(3-chlorophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol?
The IUPAC name of 3-[(3-chlorophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol (CID 67069753) is 3-[(3-chlorophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol.
What is the SMILES notation for 3-[(3-chlorophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol?
The canonical SMILES for 3-[(3-chlorophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol is Cc1nc2c(O)cccc2cc1C(Nc1ccccn1)c1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol?
The InChIKey is JMQIAUQMHOZEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O/c1-14-18(13-16-7-5-9-19(27)22(16)25-14)21(15-6-4-8-17(23)12-15)26-20-10-2-3-11-24-20/h2-13,21,27H,1H3,(H,24,26).
What are the key properties of 3-[(3-chlorophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol?
3-[(3-chlorophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-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 3-[(3-chlorophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol is sourced from PubChem (CID 67069753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).