4-[2-(quinolin-8-ylamino)ethyl]phenol

C17H16N2O — CID 90671750

IUPAC4-[2-(quinolin-8-ylamino)ethyl]phenol
SMILESOc1ccc(CCNc2cccc3cccnc23)cc1
InChIInChI=1S/C17H16N2O/c20-15-8-6-13(7-9-15)10-12-18-16-5-1-3-14-4-2-11-19-17(14)16/h1-9,11,18,20H,10,12H2
InChIKeySWRSOGHXALUYBN-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.60
Rot. Bonds4

About 4-[2-(quinolin-8-ylamino)ethyl]phenol

4-[2-(quinolin-8-ylamino)ethyl]phenol (PubChem CID 90671750) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-[2-(quinolin-8-ylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(quinolin-8-ylamino)ethyl]phenol
PubChem CID90671750
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name4-[2-(quinolin-8-ylamino)ethyl]phenol
SMILESOc1ccc(CCNc2cccc3cccnc23)cc1
InChIInChI=1S/C17H16N2O/c20-15-8-6-13(7-9-15)10-12-18-16-5-1-3-14-4-2-11-19-17(14)16/h1-9,11,18,20H,10,12H2
InChIKeySWRSOGHXALUYBN-UHFFFAOYSA-N
XLogP3.60
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(quinolin-8-ylamino)ethyl]phenol?
The IUPAC name of 4-[2-(quinolin-8-ylamino)ethyl]phenol (CID 90671750) is 4-[2-(quinolin-8-ylamino)ethyl]phenol.
What is the SMILES notation for 4-[2-(quinolin-8-ylamino)ethyl]phenol?
The canonical SMILES for 4-[2-(quinolin-8-ylamino)ethyl]phenol is Oc1ccc(CCNc2cccc3cccnc23)cc1.
What is the InChIKey of 4-[2-(quinolin-8-ylamino)ethyl]phenol?
The InChIKey is SWRSOGHXALUYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c20-15-8-6-13(7-9-15)10-12-18-16-5-1-3-14-4-2-11-19-17(14)16/h1-9,11,18,20H,10,12H2.
What are the key properties of 4-[2-(quinolin-8-ylamino)ethyl]phenol?
4-[2-(quinolin-8-ylamino)ethyl]phenol has a molecular weight of 264.33 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(quinolin-8-ylamino)ethyl]phenol is sourced from PubChem (CID 90671750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).