(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone

C26H28N2O4S — CID 27515240

IUPAC(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
SMILESCOc1cc2c(cc1OC)CN(C(=O)c1cc(-c3ccccc3)c(N3CCOCC3)s1)CC2
InChIInChI=1S/C26H28N2O4S/c1-30-22-14-19-8-9-28(17-20(19)15-23(22)31-2)25(29)24-16-21(18-6-4-3-5-7-18)26(33-24)27-10-12-32-13-11-27/h3-7,14-16H,8-13,17H2,1-2H3
InChIKeyVYOMTKBGOJVSST-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.47
Rot. Bonds5

About (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone (PubChem CID 27515240) has the molecular formula C26H28N2O4S and a molecular weight of 464.59 g/mol. Its IUPAC name is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
PubChem CID27515240
Molecular FormulaC26H28N2O4S
Molecular Weight464.59 g/mol
Exact Mass464.18
IUPAC Name(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
SMILESCOc1cc2c(cc1OC)CN(C(=O)c1cc(-c3ccccc3)c(N3CCOCC3)s1)CC2
InChIInChI=1S/C26H28N2O4S/c1-30-22-14-19-8-9-28(17-20(19)15-23(22)31-2)25(29)24-16-21(18-6-4-3-5-7-18)26(33-24)27-10-12-32-13-11-27/h3-7,14-16H,8-13,17H2,1-2H3
InChIKeyVYOMTKBGOJVSST-UHFFFAOYSA-N
XLogP4.47
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

azetidin-1-yl-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24515046
(4-methoxypiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 55480219
(3,5-dimethylpiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24538398
(4-benzylpiperazin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24513631
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 780505
[1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55469027
(4-methylsulfonyl-1,4-diazepan-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24667301
N-[(3,5-dimethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 55577868
(5-bromothiophen-2-yl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 26887367
N-(5-acetamido-2-methoxyphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 26781521
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 110649173
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-phenyl-1H-pyridin-2-one
CID 110649182

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone?
The IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone (CID 27515240) is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone.
What is the SMILES notation for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone?
The canonical SMILES for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone is COc1cc2c(cc1OC)CN(C(=O)c1cc(-c3ccccc3)c(N3CCOCC3)s1)CC2.
What is the InChIKey of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone?
The InChIKey is VYOMTKBGOJVSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4S/c1-30-22-14-19-8-9-28(17-20(19)15-23(22)31-2)25(29)24-16-21(18-6-4-3-5-7-18)26(33-24)27-10-12-32-13-11-27/h3-7,14-16H,8-13,17H2,1-2H3.
What are the key properties of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone?
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone has a molecular weight of 464.59 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone is sourced from PubChem (CID 27515240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).