(3R)-3-(2-chloroquinolin-3-yl)morpholine;hydrochloride

C13H14Cl2N2O — CID 171192924

IUPAC(3R)-3-(2-chloroquinolin-3-yl)morpholine;hydrochloride
SMILESCl.Clc1nc2ccccc2cc1[C@@H]1COCCN1
InChIInChI=1S/C13H13ClN2O.ClH/c14-13-10(12-8-17-6-5-15-12)7-9-3-1-2-4-11(9)16-13;/h1-4,7,12,15H,5-6,8H2;1H/t12-;/m0./s1
InChIKeyNVSZXARURIWXFO-YDALLXLXSA-N
MW285.17 g/mol
LogP2.97
Rot. Bonds1

About (3R)-3-(2-chloroquinolin-3-yl)morpholine;hydrochloride

(3R)-3-(2-chloroquinolin-3-yl)morpholine;hydrochloride (PubChem CID 171192924) has the molecular formula C13H14Cl2N2O and a molecular weight of 285.17 g/mol. Its IUPAC name is (3R)-3-(2-chloroquinolin-3-yl)morpholine;hydrochloride.

Molecular Properties

Compound Name(3R)-3-(2-chloroquinolin-3-yl)morpholine;hydrochloride
PubChem CID171192924
Molecular FormulaC13H14Cl2N2O
Molecular Weight285.17 g/mol
Exact Mass284.05
IUPAC Name(3R)-3-(2-chloroquinolin-3-yl)morpholine;hydrochloride
SMILESCl.Clc1nc2ccccc2cc1[C@@H]1COCCN1
InChIInChI=1S/C13H13ClN2O.ClH/c14-13-10(12-8-17-6-5-15-12)7-9-3-1-2-4-11(9)16-13;/h1-4,7,12,15H,5-6,8H2;1H/t12-;/m0./s1
InChIKeyNVSZXARURIWXFO-YDALLXLXSA-N
XLogP2.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-(2-chloroquinolin-3-yl)-1,3-oxazolidin-2-one
CID 171252851
(3R)-3-naphthalen-1-ylmorpholine;hydrochloride
CID 171192824
(3R)-3-(2,6-dichlorophenyl)morpholine;hydrochloride
CID 171192450
(3S)-3-(5,6-dichloro-2-pyridinyl)morpholine
CID 130706269
2-chloro-3-cyclopropylquinoline
CID 14001233
3-(2-bromophenyl)morpholine;hydrochloride
CID 155487565
2-morpholin-3-ylphenol
CID 55294349
3-(2,5-dichlorophenyl)morpholine
CID 126971180
2-chloro-3-pyrrolidin-3-ylquinoline
CID 116985200
2-[(3R)-morpholin-3-yl]benzene-1,4-diol;hydrochloride
CID 171192528
(3R)-3-(1,3-benzothiazol-2-yl)morpholine
CID 96788923
2-chloro-3-cyclohexylquinoline
CID 14001235

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-chloroquinolin-3-yl)morpholine;hydrochloride?
The IUPAC name of (3R)-3-(2-chloroquinolin-3-yl)morpholine;hydrochloride (CID 171192924) is (3R)-3-(2-chloroquinolin-3-yl)morpholine;hydrochloride.
What is the SMILES notation for (3R)-3-(2-chloroquinolin-3-yl)morpholine;hydrochloride?
The canonical SMILES for (3R)-3-(2-chloroquinolin-3-yl)morpholine;hydrochloride is Cl.Clc1nc2ccccc2cc1[C@@H]1COCCN1.
What is the InChIKey of (3R)-3-(2-chloroquinolin-3-yl)morpholine;hydrochloride?
The InChIKey is NVSZXARURIWXFO-YDALLXLXSA-N. The full InChI is InChI=1S/C13H13ClN2O.ClH/c14-13-10(12-8-17-6-5-15-12)7-9-3-1-2-4-11(9)16-13;/h1-4,7,12,15H,5-6,8H2;1H/t12-;/m0./s1.
What are the key properties of (3R)-3-(2-chloroquinolin-3-yl)morpholine;hydrochloride?
(3R)-3-(2-chloroquinolin-3-yl)morpholine;hydrochloride has a molecular weight of 285.17 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-chloroquinolin-3-yl)morpholine;hydrochloride is sourced from PubChem (CID 171192924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).