4-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine

C23H23ClN2O2 — CID 58393669

IUPAC4-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine
SMILESClc1ccc2cccc(O[C@H]3c4ccccc4CC[C@@H]3N3CCOCC3)c2n1
InChIInChI=1S/C23H23ClN2O2/c24-21-11-9-17-5-3-7-20(22(17)25-21)28-23-18-6-2-1-4-16(18)8-10-19(23)26-12-14-27-15-13-26/h1-7,9,11,19,23H,8,10,12-15H2/t19-,23-/m0/s1
InChIKeyBEPKIFFMFPFUCJ-CVDCTZTESA-N
MW394.90 g/mol
LogP4.66
Rot. Bonds3

About 4-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine

4-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine (PubChem CID 58393669) has the molecular formula C23H23ClN2O2 and a molecular weight of 394.90 g/mol. Its IUPAC name is 4-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine.

Molecular Properties

Compound Name4-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine
PubChem CID58393669
Molecular FormulaC23H23ClN2O2
Molecular Weight394.90 g/mol
Exact Mass394.14
IUPAC Name4-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine
SMILESClc1ccc2cccc(O[C@H]3c4ccccc4CC[C@@H]3N3CCOCC3)c2n1
InChIInChI=1S/C23H23ClN2O2/c24-21-11-9-17-5-3-7-20(22(17)25-21)28-23-18-6-2-1-4-16(18)8-10-19(23)26-12-14-27-15-13-26/h1-7,9,11,19,23H,8,10,12-15H2/t19-,23-/m0/s1
InChIKeyBEPKIFFMFPFUCJ-CVDCTZTESA-N
XLogP4.66
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine with MolForge

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Related Compounds

(3R)-1-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
CID 58393636
5-chloro-2-[[(1S,2S)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzonitrile
CID 58393721
2-fluoro-4-[[(1S,2S)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzonitrile
CID 58394097
(3R)-1-[(1S,2S)-1-(2H-benzotriazol-4-yloxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
CID 58393777
(3S)-1-[(1S,2S)-1-(2H-benzotriazol-4-yloxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
CID 58394121
2-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-5-chlorobenzonitrile
CID 58394036
(3R)-1-[(1S,2S)-1-(5-fluoroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
CID 58394228
2-[[(1S,2S)-2-[(3S)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-5-chlorobenzamide
CID 58393446
(3S)-1-[(1S,2S)-1-(4-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
CID 58393518
3-chloro-4-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)oxy]pyridine
CID 67310634
4-[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]morpholine
CID 129392431
(2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-1-ol
CID 58393444

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine?
The IUPAC name of 4-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine (CID 58393669) is 4-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine.
What is the SMILES notation for 4-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine?
The canonical SMILES for 4-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine is Clc1ccc2cccc(O[C@H]3c4ccccc4CC[C@@H]3N3CCOCC3)c2n1.
What is the InChIKey of 4-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine?
The InChIKey is BEPKIFFMFPFUCJ-CVDCTZTESA-N. The full InChI is InChI=1S/C23H23ClN2O2/c24-21-11-9-17-5-3-7-20(22(17)25-21)28-23-18-6-2-1-4-16(18)8-10-19(23)26-12-14-27-15-13-26/h1-7,9,11,19,23H,8,10,12-15H2/t19-,23-/m0/s1.
What are the key properties of 4-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine?
4-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine has a molecular weight of 394.90 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine is sourced from PubChem (CID 58393669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).