3-(pyridin-3-ylamino)-5-quinolin-4-ylphenol

C20H15N3O — CID 50993791

IUPAC3-(pyridin-3-ylamino)-5-quinolin-4-ylphenol
SMILESOc1cc(Nc2cccnc2)cc(-c2ccnc3ccccc23)c1
InChIInChI=1S/C20H15N3O/c24-17-11-14(10-16(12-17)23-15-4-3-8-21-13-15)18-7-9-22-20-6-2-1-5-19(18)20/h1-13,23-24H
InChIKeyRMRUNLNPGULFBS-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.75
Rot. Bonds3

About 3-(pyridin-3-ylamino)-5-quinolin-4-ylphenol

3-(pyridin-3-ylamino)-5-quinolin-4-ylphenol (PubChem CID 50993791) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-(pyridin-3-ylamino)-5-quinolin-4-ylphenol.

Molecular Properties

Compound Name3-(pyridin-3-ylamino)-5-quinolin-4-ylphenol
PubChem CID50993791
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name3-(pyridin-3-ylamino)-5-quinolin-4-ylphenol
SMILESOc1cc(Nc2cccnc2)cc(-c2ccnc3ccccc23)c1
InChIInChI=1S/C20H15N3O/c24-17-11-14(10-16(12-17)23-15-4-3-8-21-13-15)18-7-9-22-20-6-2-1-5-19(18)20/h1-13,23-24H
InChIKeyRMRUNLNPGULFBS-UHFFFAOYSA-N
XLogP4.75
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-3-ylamino)-5-quinolin-4-ylphenol?
The IUPAC name of 3-(pyridin-3-ylamino)-5-quinolin-4-ylphenol (CID 50993791) is 3-(pyridin-3-ylamino)-5-quinolin-4-ylphenol.
What is the SMILES notation for 3-(pyridin-3-ylamino)-5-quinolin-4-ylphenol?
The canonical SMILES for 3-(pyridin-3-ylamino)-5-quinolin-4-ylphenol is Oc1cc(Nc2cccnc2)cc(-c2ccnc3ccccc23)c1.
What is the InChIKey of 3-(pyridin-3-ylamino)-5-quinolin-4-ylphenol?
The InChIKey is RMRUNLNPGULFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c24-17-11-14(10-16(12-17)23-15-4-3-8-21-13-15)18-7-9-22-20-6-2-1-5-19(18)20/h1-13,23-24H.
What are the key properties of 3-(pyridin-3-ylamino)-5-quinolin-4-ylphenol?
3-(pyridin-3-ylamino)-5-quinolin-4-ylphenol has a molecular weight of 313.36 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-3-ylamino)-5-quinolin-4-ylphenol is sourced from PubChem (CID 50993791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).