7-[(2-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol

C21H16ClN3O — CID 4986404

IUPAC7-[(2-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESOc1c(C(Nc2ccccn2)c2ccccc2Cl)ccc2cccnc12
InChIInChI=1S/C21H16ClN3O/c22-17-8-2-1-7-15(17)20(25-18-9-3-4-12-23-18)16-11-10-14-6-5-13-24-19(14)21(16)26/h1-13,20,26H,(H,23,25)
InChIKeyRGPCTXYEMALQFR-UHFFFAOYSA-N
MW361.83 g/mol
LogP5.19
Rot. Bonds4

About 7-[(2-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol

7-[(2-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (PubChem CID 4986404) has the molecular formula C21H16ClN3O and a molecular weight of 361.83 g/mol. Its IUPAC name is 7-[(2-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(2-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
PubChem CID4986404
Molecular FormulaC21H16ClN3O
Molecular Weight361.83 g/mol
Exact Mass361.10
IUPAC Name7-[(2-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESOc1c(C(Nc2ccccn2)c2ccccc2Cl)ccc2cccnc12
InChIInChI=1S/C21H16ClN3O/c22-17-8-2-1-7-15(17)20(25-18-9-3-4-12-23-18)16-11-10-14-6-5-13-24-19(14)21(16)26/h1-13,20,26H,(H,23,25)
InChIKeyRGPCTXYEMALQFR-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'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The IUPAC name of 7-[(2-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (CID 4986404) is 7-[(2-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(2-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(2-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is Oc1c(C(Nc2ccccn2)c2ccccc2Cl)ccc2cccnc12.
What is the InChIKey of 7-[(2-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The InChIKey is RGPCTXYEMALQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O/c22-17-8-2-1-7-15(17)20(25-18-9-3-4-12-23-18)16-11-10-14-6-5-13-24-19(14)21(16)26/h1-13,20,26H,(H,23,25).
What are the key properties of 7-[(2-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
7-[(2-chlorophenyl)-(pyridin-2-ylamino)methyl]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-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 4986404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).