3-(9-morpholin-4-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)phenol

C22H26N2O3 — CID 58956650

IUPAC3-(9-morpholin-4-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)phenol
SMILESOc1cccc(C2Nc3ccc(N4CCOCC4)cc3C3OCCCC23)c1
InChIInChI=1S/C22H26N2O3/c25-17-4-1-3-15(13-17)21-18-5-2-10-27-22(18)19-14-16(6-7-20(19)23-21)24-8-11-26-12-9-24/h1,3-4,6-7,13-14,18,21-23,25H,2,5,8-12H2
InChIKeyQWZBABIGGFRHLN-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.86
Rot. Bonds2

About 3-(9-morpholin-4-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)phenol

3-(9-morpholin-4-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)phenol (PubChem CID 58956650) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-(9-morpholin-4-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)phenol.

Molecular Properties

Compound Name3-(9-morpholin-4-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)phenol
PubChem CID58956650
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name3-(9-morpholin-4-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)phenol
SMILESOc1cccc(C2Nc3ccc(N4CCOCC4)cc3C3OCCCC23)c1
InChIInChI=1S/C22H26N2O3/c25-17-4-1-3-15(13-17)21-18-5-2-10-27-22(18)19-14-16(6-7-20(19)23-21)24-8-11-26-12-9-24/h1,3-4,6-7,13-14,18,21-23,25H,2,5,8-12H2
InChIKeyQWZBABIGGFRHLN-UHFFFAOYSA-N
XLogP3.86
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(9-morpholin-4-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)phenol?
The IUPAC name of 3-(9-morpholin-4-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)phenol (CID 58956650) is 3-(9-morpholin-4-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)phenol.
What is the SMILES notation for 3-(9-morpholin-4-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)phenol?
The canonical SMILES for 3-(9-morpholin-4-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)phenol is Oc1cccc(C2Nc3ccc(N4CCOCC4)cc3C3OCCCC23)c1.
What is the InChIKey of 3-(9-morpholin-4-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)phenol?
The InChIKey is QWZBABIGGFRHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-17-4-1-3-15(13-17)21-18-5-2-10-27-22(18)19-14-16(6-7-20(19)23-21)24-8-11-26-12-9-24/h1,3-4,6-7,13-14,18,21-23,25H,2,5,8-12H2.
What are the key properties of 3-(9-morpholin-4-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)phenol?
3-(9-morpholin-4-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)phenol has a molecular weight of 366.46 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-morpholin-4-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)phenol is sourced from PubChem (CID 58956650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).