1-(3-cyclopropylmorpholin-4-yl)-2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

C26H32N2O4 — CID 166191827

IUPAC1-(3-cyclopropylmorpholin-4-yl)-2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)N(CC(=O)N1CCOCC1C1CC1)CC2
InChIInChI=1S/C26H32N2O4/c1-30-23-14-20-10-11-27(16-25(29)28-12-13-32-17-22(28)18-8-9-18)26(19-6-4-3-5-7-19)21(20)15-24(23)31-2/h3-7,14-15,18,22,26H,8-13,16-17H2,1-2H3
InChIKeyFOJAJZFFYKYZDA-UHFFFAOYSA-N
MW436.55 g/mol
LogP3.29
Rot. Bonds6

About 1-(3-cyclopropylmorpholin-4-yl)-2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

1-(3-cyclopropylmorpholin-4-yl)-2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone (PubChem CID 166191827) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is 1-(3-cyclopropylmorpholin-4-yl)-2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-cyclopropylmorpholin-4-yl)-2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
PubChem CID166191827
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC Name1-(3-cyclopropylmorpholin-4-yl)-2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)N(CC(=O)N1CCOCC1C1CC1)CC2
InChIInChI=1S/C26H32N2O4/c1-30-23-14-20-10-11-27(16-25(29)28-12-13-32-17-22(28)18-8-9-18)26(19-6-4-3-5-7-19)21(20)15-24(23)31-2/h3-7,14-15,18,22,26H,8-13,16-17H2,1-2H3
InChIKeyFOJAJZFFYKYZDA-UHFFFAOYSA-N
XLogP3.29
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3-cyclopropylmorpholin-4-yl)-2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone with MolForge

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Related Compounds

2-[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid
CID 51434142
2-[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 41189307
N-(cyclopropylcarbamoyl)-2-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 9288643
1-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methylbutan-1-one
CID 92760085
2-[6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid
CID 4711763
2-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(ethylcarbamoyl)acetamide
CID 9288622
8-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)octanoic acid
CID 22662976
(1S)-2-benzyl-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline
CID 25389894
1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 4869004
(1R)-2-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-phenylethanol
CID 40758909
2-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(2-fluorophenyl)acetamide
CID 9288667
1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylbutan-1-one
CID 24685631

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylmorpholin-4-yl)-2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The IUPAC name of 1-(3-cyclopropylmorpholin-4-yl)-2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone (CID 166191827) is 1-(3-cyclopropylmorpholin-4-yl)-2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone.
What is the SMILES notation for 1-(3-cyclopropylmorpholin-4-yl)-2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The canonical SMILES for 1-(3-cyclopropylmorpholin-4-yl)-2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone is COc1cc2c(cc1OC)C(c1ccccc1)N(CC(=O)N1CCOCC1C1CC1)CC2.
What is the InChIKey of 1-(3-cyclopropylmorpholin-4-yl)-2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The InChIKey is FOJAJZFFYKYZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-30-23-14-20-10-11-27(16-25(29)28-12-13-32-17-22(28)18-8-9-18)26(19-6-4-3-5-7-19)21(20)15-24(23)31-2/h3-7,14-15,18,22,26H,8-13,16-17H2,1-2H3.
What are the key properties of 1-(3-cyclopropylmorpholin-4-yl)-2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
1-(3-cyclopropylmorpholin-4-yl)-2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone has a molecular weight of 436.55 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylmorpholin-4-yl)-2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone is sourced from PubChem (CID 166191827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).