(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone

C15H19ClN2O2 — CID 175819870

IUPAC(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)N2CCc3cc(Cl)ccc3C2)CCO1
InChIInChI=1S/C15H19ClN2O2/c1-11-9-18(6-7-20-11)15(19)17-5-4-12-8-14(16)3-2-13(12)10-17/h2-3,8,11H,4-7,9-10H2,1H3/t11-/m0/s1
InChIKeyKIXCCAAQINSZOO-NSHDSACASA-N
MW294.78 g/mol
LogP2.54
Rot. Bonds

About (6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone

(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone (PubChem CID 175819870) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is (6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone
PubChem CID175819870
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)N2CCc3cc(Cl)ccc3C2)CCO1
InChIInChI=1S/C15H19ClN2O2/c1-11-9-18(6-7-20-11)15(19)17-5-4-12-8-14(16)3-2-13(12)10-17/h2-3,8,11H,4-7,9-10H2,1H3/t11-/m0/s1
InChIKeyKIXCCAAQINSZOO-NSHDSACASA-N
XLogP2.54
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone with MolForge

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Related Compounds

(6-chloro-8-deuterio-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone
CID 175915720
(2S)-2-[6-chloro-2-[(2S)-2-methylmorpholine-4-carbonyl]-3,4-dihydro-1H-isoquinolin-8-yl]pyrrolidine-1-carboxylic acid
CID 174160562
(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-[(3S)-oxolan-3-yl]methanone
CID 175915760
(5-chloro-2-hydrazinylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 62247369
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 79159479
(E)-3-(2,5-dichlorophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one
CID 47135151
7-chloro-N-[(1S)-1-[(2R)-4-methylmorpholin-2-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97106689
2-(2,5-dichlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
CID 110309986
(2-methylmorpholin-4-yl)-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 154706011
[6-tert-butyl-8-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 171606604
2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
CID 52985807
[5-(4-chlorophenyl)-3-pyridinyl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 136582281

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone?
The IUPAC name of (6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone (CID 175819870) is (6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone?
The canonical SMILES for (6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone is C[C@H]1CN(C(=O)N2CCc3cc(Cl)ccc3C2)CCO1.
What is the InChIKey of (6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone?
The InChIKey is KIXCCAAQINSZOO-NSHDSACASA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-11-9-18(6-7-20-11)15(19)17-5-4-12-8-14(16)3-2-13(12)10-17/h2-3,8,11H,4-7,9-10H2,1H3/t11-/m0/s1.
What are the key properties of (6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone?
(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone has a molecular weight of 294.78 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 175819870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).