4-[1-(quinolin-8-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]phenol

C21H20N2O — CID 18131485

IUPAC4-[1-(quinolin-8-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]phenol
SMILESOc1ccc(C2=CCN(Cc3cccc4cccnc34)CC2)cc1
InChIInChI=1S/C21H20N2O/c24-20-8-6-16(7-9-20)17-10-13-23(14-11-17)15-19-4-1-3-18-5-2-12-22-21(18)19/h1-10,12,24H,11,13-15H2
InChIKeyFIMWJSDRRXBDSV-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.23
Rot. Bonds3

About 4-[1-(quinolin-8-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]phenol

4-[1-(quinolin-8-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]phenol (PubChem CID 18131485) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-[1-(quinolin-8-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]phenol.

Molecular Properties

Compound Name4-[1-(quinolin-8-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]phenol
PubChem CID18131485
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name4-[1-(quinolin-8-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]phenol
SMILESOc1ccc(C2=CCN(Cc3cccc4cccnc34)CC2)cc1
InChIInChI=1S/C21H20N2O/c24-20-8-6-16(7-9-20)17-10-13-23(14-11-17)15-19-4-1-3-18-5-2-12-22-21(18)19/h1-10,12,24H,11,13-15H2
InChIKeyFIMWJSDRRXBDSV-UHFFFAOYSA-N
XLogP4.23
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(quinolin-8-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]phenol?
The IUPAC name of 4-[1-(quinolin-8-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]phenol (CID 18131485) is 4-[1-(quinolin-8-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]phenol.
What is the SMILES notation for 4-[1-(quinolin-8-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]phenol?
The canonical SMILES for 4-[1-(quinolin-8-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]phenol is Oc1ccc(C2=CCN(Cc3cccc4cccnc34)CC2)cc1.
What is the InChIKey of 4-[1-(quinolin-8-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]phenol?
The InChIKey is FIMWJSDRRXBDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c24-20-8-6-16(7-9-20)17-10-13-23(14-11-17)15-19-4-1-3-18-5-2-12-22-21(18)19/h1-10,12,24H,11,13-15H2.
What are the key properties of 4-[1-(quinolin-8-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]phenol?
4-[1-(quinolin-8-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]phenol has a molecular weight of 316.40 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(quinolin-8-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]phenol is sourced from PubChem (CID 18131485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).