(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-morpholin-4-ylphenyl)methanone

C21H24N2O3 — CID 91789631

IUPAC(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-morpholin-4-ylphenyl)methanone
SMILESCOc1ccc2c(c1)CCN(C(=O)c1ccccc1N1CCOCC1)C2
InChIInChI=1S/C21H24N2O3/c1-25-18-7-6-17-15-23(9-8-16(17)14-18)21(24)19-4-2-3-5-20(19)22-10-12-26-13-11-22/h2-7,14H,8-13,15H2,1H3
InChIKeyOCNZHEFCLAHKNH-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.73
Rot. Bonds3

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

(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-morpholin-4-ylphenyl)methanone (PubChem CID 91789631) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-morpholin-4-ylphenyl)methanone.

Molecular Properties

Compound Name(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-morpholin-4-ylphenyl)methanone
PubChem CID91789631
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-morpholin-4-ylphenyl)methanone
SMILESCOc1ccc2c(c1)CCN(C(=O)c1ccccc1N1CCOCC1)C2
InChIInChI=1S/C21H24N2O3/c1-25-18-7-6-17-15-23(9-8-16(17)14-18)21(24)19-4-2-3-5-20(19)22-10-12-26-13-11-22/h2-7,14H,8-13,15H2,1H3
InChIKeyOCNZHEFCLAHKNH-UHFFFAOYSA-N
XLogP2.73
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone
CID 110726074
(3,5-dimethoxyphenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110726076
6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride
CID 172635030
phenyl 6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 110726098
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methylphenyl)methanone
CID 110726069
1-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylpropan-1-one
CID 15718698
(3-fluorophenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110726071
2-(2-fluorophenyl)-1-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 110726106
[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-morpholin-4-ylphenyl)methanone
CID 169421079
[2-(3-methoxyphenyl)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 131949336
3-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzonitrile
CID 110726073
(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(2-morpholin-4-yl-5-nitrophenyl)methanone
CID 57445277

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-morpholin-4-ylphenyl)methanone?
The IUPAC name of (6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-morpholin-4-ylphenyl)methanone (CID 91789631) is (6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-morpholin-4-ylphenyl)methanone.
What is the SMILES notation for (6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-morpholin-4-ylphenyl)methanone?
The canonical SMILES for (6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-morpholin-4-ylphenyl)methanone is COc1ccc2c(c1)CCN(C(=O)c1ccccc1N1CCOCC1)C2.
What is the InChIKey of (6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-morpholin-4-ylphenyl)methanone?
The InChIKey is OCNZHEFCLAHKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-25-18-7-6-17-15-23(9-8-16(17)14-18)21(24)19-4-2-3-5-20(19)22-10-12-26-13-11-22/h2-7,14H,8-13,15H2,1H3.
What are the key properties of (6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-morpholin-4-ylphenyl)methanone?
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-morpholin-4-ylphenyl)methanone has a molecular weight of 352.43 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-morpholin-4-ylphenyl)methanone is sourced from PubChem (CID 91789631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).