7-[(3-phenoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol

C27H21N3O2 — CID 2923731

IUPAC7-[(3-phenoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESOc1c(C(Nc2ccccn2)c2cccc(Oc3ccccc3)c2)ccc2cccnc12
InChIInChI=1S/C27H21N3O2/c31-27-23(15-14-19-9-7-17-29-26(19)27)25(30-24-13-4-5-16-28-24)20-8-6-12-22(18-20)32-21-10-2-1-3-11-21/h1-18,25,31H,(H,28,30)
InChIKeyWJNJQDQWGRQWCD-UHFFFAOYSA-N
MW419.48 g/mol
LogP6.33
Rot. Bonds6

About 7-[(3-phenoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol

7-[(3-phenoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (PubChem CID 2923731) has the molecular formula C27H21N3O2 and a molecular weight of 419.48 g/mol. Its IUPAC name is 7-[(3-phenoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(3-phenoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
PubChem CID2923731
Molecular FormulaC27H21N3O2
Molecular Weight419.48 g/mol
Exact Mass419.16
IUPAC Name7-[(3-phenoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESOc1c(C(Nc2ccccn2)c2cccc(Oc3ccccc3)c2)ccc2cccnc12
InChIInChI=1S/C27H21N3O2/c31-27-23(15-14-19-9-7-17-29-26(19)27)25(30-24-13-4-5-16-28-24)20-8-6-12-22(18-20)32-21-10-2-1-3-11-21/h1-18,25,31H,(H,28,30)
InChIKeyWJNJQDQWGRQWCD-UHFFFAOYSA-N
XLogP6.33
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(3-phenoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The IUPAC name of 7-[(3-phenoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (CID 2923731) is 7-[(3-phenoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(3-phenoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(3-phenoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is Oc1c(C(Nc2ccccn2)c2cccc(Oc3ccccc3)c2)ccc2cccnc12.
What is the InChIKey of 7-[(3-phenoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The InChIKey is WJNJQDQWGRQWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O2/c31-27-23(15-14-19-9-7-17-29-26(19)27)25(30-24-13-4-5-16-28-24)20-8-6-12-22(18-20)32-21-10-2-1-3-11-21/h1-18,25,31H,(H,28,30).
What are the key properties of 7-[(3-phenoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
7-[(3-phenoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol has a molecular weight of 419.48 g/mol, XLogP of 6.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-phenoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 2923731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).