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

C24H26ClN3O — CID 58393636

IUPAC(3R)-1-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
SMILESN[C@@H]1CCCN([C@H]2CCc3ccccc3[C@@H]2Oc2cccc3ccc(Cl)nc23)C1
InChIInChI=1S/C24H26ClN3O/c25-22-13-11-17-6-3-9-21(23(17)27-22)29-24-19-8-2-1-5-16(19)10-12-20(24)28-14-4-7-18(26)15-28/h1-3,5-6,8-9,11,13,18,20,24H,4,7,10,12,14-15,26H2/t18-,20+,24+/m1/s1
InChIKeyGPQHELMRJNRTKF-WWEVIYMKSA-N
MW407.95 g/mol
LogP4.75
Rot. Bonds3

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

(3R)-1-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine (PubChem CID 58393636) has the molecular formula C24H26ClN3O and a molecular weight of 407.95 g/mol. Its IUPAC name is (3R)-1-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
PubChem CID58393636
Molecular FormulaC24H26ClN3O
Molecular Weight407.95 g/mol
Exact Mass407.18
IUPAC Name(3R)-1-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
SMILESN[C@@H]1CCCN([C@H]2CCc3ccccc3[C@@H]2Oc2cccc3ccc(Cl)nc23)C1
InChIInChI=1S/C24H26ClN3O/c25-22-13-11-17-6-3-9-21(23(17)27-22)29-24-19-8-2-1-5-16(19)10-12-20(24)28-14-4-7-18(26)15-28/h1-3,5-6,8-9,11,13,18,20,24H,4,7,10,12,14-15,26H2/t18-,20+,24+/m1/s1
InChIKeyGPQHELMRJNRTKF-WWEVIYMKSA-N
XLogP4.75
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.95
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]morpholine
CID 58393669
(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
(3S)-1-[(1S,2S)-1-(4-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
CID 58393518
(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
(3R)-1-[(1S,2S)-1-(2-fluoro-4-methoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
CID 58393748
(3R)-1-[(1S,2S)-1-(4-methylsulfanylphenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
CID 58393687
N-[3-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenyl]acetamide
CID 58394230
(3R)-1-[(1S,2R)-1-(4-fluoro-2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine
CID 67398110
(3S)-1-[1-[4-(1,2,4-triazol-1-yl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
CID 67310335

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine?
The IUPAC name of (3R)-1-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine (CID 58393636) is (3R)-1-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine?
The canonical SMILES for (3R)-1-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine is N[C@@H]1CCCN([C@H]2CCc3ccccc3[C@@H]2Oc2cccc3ccc(Cl)nc23)C1.
What is the InChIKey of (3R)-1-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine?
The InChIKey is GPQHELMRJNRTKF-WWEVIYMKSA-N. The full InChI is InChI=1S/C24H26ClN3O/c25-22-13-11-17-6-3-9-21(23(17)27-22)29-24-19-8-2-1-5-16(19)10-12-20(24)28-14-4-7-18(26)15-28/h1-3,5-6,8-9,11,13,18,20,24H,4,7,10,12,14-15,26H2/t18-,20+,24+/m1/s1.
What are the key properties of (3R)-1-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine?
(3R)-1-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine has a molecular weight of 407.95 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1S,2S)-1-(2-chloroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine is sourced from PubChem (CID 58393636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).