7-[(2-chloroanilino)-pyridin-3-ylmethyl]quinolin-8-ol

C21H16ClN3O — CID 16644264

IUPAC7-[(2-chloroanilino)-pyridin-3-ylmethyl]quinolin-8-ol
SMILESOc1c(C(Nc2ccccc2Cl)c2cccnc2)ccc2cccnc12
InChIInChI=1S/C21H16ClN3O/c22-17-7-1-2-8-18(17)25-19(15-6-3-11-23-13-15)16-10-9-14-5-4-12-24-20(14)21(16)26/h1-13,19,25-26H
InChIKeyDVBWOZORMNVQDE-UHFFFAOYSA-N
MW361.83 g/mol
LogP5.19
Rot. Bonds4

About 7-[(2-chloroanilino)-pyridin-3-ylmethyl]quinolin-8-ol

7-[(2-chloroanilino)-pyridin-3-ylmethyl]quinolin-8-ol (PubChem CID 16644264) has the molecular formula C21H16ClN3O and a molecular weight of 361.83 g/mol. Its IUPAC name is 7-[(2-chloroanilino)-pyridin-3-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(2-chloroanilino)-pyridin-3-ylmethyl]quinolin-8-ol
PubChem CID16644264
Molecular FormulaC21H16ClN3O
Molecular Weight361.83 g/mol
Exact Mass361.10
IUPAC Name7-[(2-chloroanilino)-pyridin-3-ylmethyl]quinolin-8-ol
SMILESOc1c(C(Nc2ccccc2Cl)c2cccnc2)ccc2cccnc12
InChIInChI=1S/C21H16ClN3O/c22-17-7-1-2-8-18(17)25-19(15-6-3-11-23-13-15)16-10-9-14-5-4-12-24-20(14)21(16)26/h1-13,19,25-26H
InChIKeyDVBWOZORMNVQDE-UHFFFAOYSA-N
XLogP5.19
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.83
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 7-[(2-chloroanilino)-pyridin-3-ylmethyl]quinolin-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 7-[(2-chloroanilino)-pyridin-3-ylmethyl]quinolin-8-ol?
The IUPAC name of 7-[(2-chloroanilino)-pyridin-3-ylmethyl]quinolin-8-ol (CID 16644264) is 7-[(2-chloroanilino)-pyridin-3-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 7-[(2-chloroanilino)-pyridin-3-ylmethyl]quinolin-8-ol?
The canonical SMILES for 7-[(2-chloroanilino)-pyridin-3-ylmethyl]quinolin-8-ol is Oc1c(C(Nc2ccccc2Cl)c2cccnc2)ccc2cccnc12.
What is the InChIKey of 7-[(2-chloroanilino)-pyridin-3-ylmethyl]quinolin-8-ol?
The InChIKey is DVBWOZORMNVQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O/c22-17-7-1-2-8-18(17)25-19(15-6-3-11-23-13-15)16-10-9-14-5-4-12-24-20(14)21(16)26/h1-13,19,25-26H.
What are the key properties of 7-[(2-chloroanilino)-pyridin-3-ylmethyl]quinolin-8-ol?
7-[(2-chloroanilino)-pyridin-3-ylmethyl]quinolin-8-ol has a molecular weight of 361.83 g/mol, XLogP of 5.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chloroanilino)-pyridin-3-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 16644264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).