6-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one

C22H24N2O5 — CID 38447579

IUPAC6-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)CN(C(=O)COc1ccc3c(c1)CCC(=O)N3)CC2
InChIInChI=1S/C22H24N2O5/c1-27-19-10-14-7-8-24(12-16(14)11-20(19)28-2)22(26)13-29-17-4-5-18-15(9-17)3-6-21(25)23-18/h4-5,9-11H,3,6-8,12-13H2,1-2H3,(H,23,25)
InChIKeyYKELATFKNUFMHO-UHFFFAOYSA-N
MW396.44 g/mol
LogP2.55
Rot. Bonds5

About 6-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one

6-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 38447579) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is 6-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID38447579
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name6-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)CN(C(=O)COc1ccc3c(c1)CCC(=O)N3)CC2
InChIInChI=1S/C22H24N2O5/c1-27-19-10-14-7-8-24(12-16(14)11-20(19)28-2)22(26)13-29-17-4-5-18-15(9-17)3-6-21(25)23-18/h4-5,9-11H,3,6-8,12-13H2,1-2H3,(H,23,25)
InChIKeyYKELATFKNUFMHO-UHFFFAOYSA-N
XLogP2.55
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-naphthalen-2-yloxyethanone
CID 24682063
6-[2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 24685674
2-(3-chloro-4-fluorophenoxy)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 9229503
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]phenyl]acetamide
CID 24605928
6-[2-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 167855339
7-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 172880259
6-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 24650648
6-[2-oxo-2-(4-pyrrol-1-ylpiperidin-1-yl)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 51128978
6-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 94014711
2-(4-acetyl-2-methoxyphenoxy)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 24681035
6-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 55531436
5-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-2-methylpyran-4-one
CID 71753419

Frequently Asked Questions

What is the IUPAC name of 6-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one (CID 38447579) is 6-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(cc1OC)CN(C(=O)COc1ccc3c(c1)CCC(=O)N3)CC2.
What is the InChIKey of 6-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is YKELATFKNUFMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-27-19-10-14-7-8-24(12-16(14)11-20(19)28-2)22(26)13-29-17-4-5-18-15(9-17)3-6-21(25)23-18/h4-5,9-11H,3,6-8,12-13H2,1-2H3,(H,23,25).
What are the key properties of 6-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 396.44 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 38447579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).