7-[(2,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol

C21H15Cl2N3O — CID 53307499

IUPAC7-[(2,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESOc1c(C(Nc2ccccn2)c2cc(Cl)ccc2Cl)ccc2cccnc12
InChIInChI=1S/C21H15Cl2N3O/c22-14-7-9-17(23)16(12-14)20(26-18-5-1-2-10-24-18)15-8-6-13-4-3-11-25-19(13)21(15)27/h1-12,20,27H,(H,24,26)
InChIKeyHIQGIODAOSUAIJ-UHFFFAOYSA-N
MW396.28 g/mol
LogP5.84
Rot. Bonds4

About 7-[(2,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol

7-[(2,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (PubChem CID 53307499) has the molecular formula C21H15Cl2N3O and a molecular weight of 396.28 g/mol. Its IUPAC name is 7-[(2,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(2,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
PubChem CID53307499
Molecular FormulaC21H15Cl2N3O
Molecular Weight396.28 g/mol
Exact Mass395.06
IUPAC Name7-[(2,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESOc1c(C(Nc2ccccn2)c2cc(Cl)ccc2Cl)ccc2cccnc12
InChIInChI=1S/C21H15Cl2N3O/c22-14-7-9-17(23)16(12-14)20(26-18-5-1-2-10-24-18)15-8-6-13-4-3-11-25-19(13)21(15)27/h1-12,20,27H,(H,24,26)
InChIKeyHIQGIODAOSUAIJ-UHFFFAOYSA-N
XLogP5.84
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.28
LogP ≤ 55.84
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-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The IUPAC name of 7-[(2,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (CID 53307499) is 7-[(2,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(2,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(2,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is Oc1c(C(Nc2ccccn2)c2cc(Cl)ccc2Cl)ccc2cccnc12.
What is the InChIKey of 7-[(2,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The InChIKey is HIQGIODAOSUAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3O/c22-14-7-9-17(23)16(12-14)20(26-18-5-1-2-10-24-18)15-8-6-13-4-3-11-25-19(13)21(15)27/h1-12,20,27H,(H,24,26).
What are the key properties of 7-[(2,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
7-[(2,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol has a molecular weight of 396.28 g/mol, XLogP of 5.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 53307499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).