7-[(4-bromophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol

C21H16BrN3O — CID 2895264

IUPAC7-[(4-bromophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESOc1c(C(Nc2ccccn2)c2ccc(Br)cc2)ccc2cccnc12
InChIInChI=1S/C21H16BrN3O/c22-16-9-6-15(7-10-16)19(25-18-5-1-2-12-23-18)17-11-8-14-4-3-13-24-20(14)21(17)26/h1-13,19,26H,(H,23,25)
InChIKeyGJOFFFPLJMPGBK-UHFFFAOYSA-N
MW406.28 g/mol
LogP5.30
Rot. Bonds4

About 7-[(4-bromophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol

7-[(4-bromophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (PubChem CID 2895264) has the molecular formula C21H16BrN3O and a molecular weight of 406.28 g/mol. Its IUPAC name is 7-[(4-bromophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(4-bromophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
PubChem CID2895264
Molecular FormulaC21H16BrN3O
Molecular Weight406.28 g/mol
Exact Mass405.05
IUPAC Name7-[(4-bromophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESOc1c(C(Nc2ccccn2)c2ccc(Br)cc2)ccc2cccnc12
InChIInChI=1S/C21H16BrN3O/c22-16-9-6-15(7-10-16)19(25-18-5-1-2-12-23-18)17-11-8-14-4-3-13-24-20(14)21(17)26/h1-13,19,26H,(H,23,25)
InChIKeyGJOFFFPLJMPGBK-UHFFFAOYSA-N
XLogP5.30
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.28
LogP ≤ 55.30
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-[(4-bromophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The IUPAC name of 7-[(4-bromophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (CID 2895264) is 7-[(4-bromophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(4-bromophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(4-bromophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is Oc1c(C(Nc2ccccn2)c2ccc(Br)cc2)ccc2cccnc12.
What is the InChIKey of 7-[(4-bromophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The InChIKey is GJOFFFPLJMPGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrN3O/c22-16-9-6-15(7-10-16)19(25-18-5-1-2-12-23-18)17-11-8-14-4-3-13-24-20(14)21(17)26/h1-13,19,26H,(H,23,25).
What are the key properties of 7-[(4-bromophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
7-[(4-bromophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol has a molecular weight of 406.28 g/mol, XLogP of 5.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-bromophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 2895264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).