(6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone

C21H24N2O3 — CID 110289173

IUPAC(6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone
SMILESCOc1ccc2c(c1)CCN(C(=O)N1CCOCC1)C2c1ccccc1
InChIInChI=1S/C21H24N2O3/c1-25-18-7-8-19-17(15-18)9-10-23(20(19)16-5-3-2-4-6-16)21(24)22-11-13-26-14-12-22/h2-8,15,20H,9-14H2,1H3
InChIKeyUPBBJAHFSBRUNZ-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.09
Rot. Bonds2

About (6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone

(6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone (PubChem CID 110289173) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone
PubChem CID110289173
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone
SMILESCOc1ccc2c(c1)CCN(C(=O)N1CCOCC1)C2c1ccccc1
InChIInChI=1S/C21H24N2O3/c1-25-18-7-8-19-17(15-18)9-10-23(20(19)16-5-3-2-4-6-16)21(24)22-11-13-26-14-12-22/h2-8,15,20H,9-14H2,1H3
InChIKeyUPBBJAHFSBRUNZ-UHFFFAOYSA-N
XLogP3.09
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone with MolForge

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Related Compounds

(6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(oxolan-2-yl)methanone
CID 110289151
1-[1-(3,5-dimethoxyphenyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 11210018
(1S)-N-[(3-methoxyphenyl)methyl]-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 168865360
2-methyl-1-[(1S)-7-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]oxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one
CID 93335968
ethyl 7-methoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 110289304
[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-(3-methoxyphenyl)methanone
CID 992902
(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone
CID 4529458
(1R)-N-(2,4-dimethoxyphenyl)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 92772045
methyl 7-methoxy-4-phenyl-1,4-dihydro-2,3-benzoxazine-3-carboxylate
CID 134867191
1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 4869004
[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-methylsulfonylmethanone
CID 7045475
methyl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 67079072

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone (CID 110289173) is (6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone is COc1ccc2c(c1)CCN(C(=O)N1CCOCC1)C2c1ccccc1.
What is the InChIKey of (6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone?
The InChIKey is UPBBJAHFSBRUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-25-18-7-8-19-17(15-18)9-10-23(20(19)16-5-3-2-4-6-16)21(24)22-11-13-26-14-12-22/h2-8,15,20H,9-14H2,1H3.
What are the key properties of (6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone?
(6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone has a molecular weight of 352.43 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 110289173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).