2-(4-hydroxyphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-6-ol

C28H32N2O3 — CID 10275313

IUPAC2-(4-hydroxyphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-6-ol
SMILESOc1ccc(C2CCc3cc(O)ccc3N2c2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C28H32N2O3/c31-24-9-4-21(5-10-24)27-14-6-22-20-25(32)11-15-28(22)30(27)23-7-12-26(13-8-23)33-19-18-29-16-2-1-3-17-29/h4-5,7-13,15,20,27,31-32H,1-3,6,14,16-19H2
InChIKeyDYVRNYHOABJFGS-UHFFFAOYSA-N
MW444.58 g/mol
LogP5.79
Rot. Bonds6

About 2-(4-hydroxyphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-6-ol

2-(4-hydroxyphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-6-ol (PubChem CID 10275313) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-6-ol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-6-ol
PubChem CID10275313
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC Name2-(4-hydroxyphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-6-ol
SMILESOc1ccc(C2CCc3cc(O)ccc3N2c2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C28H32N2O3/c31-24-9-4-21(5-10-24)27-14-6-22-20-25(32)11-15-28(22)30(27)23-7-12-26(13-8-23)33-19-18-29-16-2-1-3-17-29/h4-5,7-13,15,20,27,31-32H,1-3,6,14,16-19H2
InChIKeyDYVRNYHOABJFGS-UHFFFAOYSA-N
XLogP5.79
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-6-ol?
The IUPAC name of 2-(4-hydroxyphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-6-ol (CID 10275313) is 2-(4-hydroxyphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-6-ol.
What is the SMILES notation for 2-(4-hydroxyphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-6-ol?
The canonical SMILES for 2-(4-hydroxyphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-6-ol is Oc1ccc(C2CCc3cc(O)ccc3N2c2ccc(OCCN3CCCCC3)cc2)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-6-ol?
The InChIKey is DYVRNYHOABJFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c31-24-9-4-21(5-10-24)27-14-6-22-20-25(32)11-15-28(22)30(27)23-7-12-26(13-8-23)33-19-18-29-16-2-1-3-17-29/h4-5,7-13,15,20,27,31-32H,1-3,6,14,16-19H2.
What are the key properties of 2-(4-hydroxyphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-6-ol?
2-(4-hydroxyphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-6-ol has a molecular weight of 444.58 g/mol, XLogP of 5.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-6-ol is sourced from PubChem (CID 10275313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).