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

C18H20N2O4 — CID 4968013

IUPAC1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyridin-2-one
SMILESCOc1cc2c(cc1OC)CN(C(=O)Cn1ccccc1=O)CC2
InChIInChI=1S/C18H20N2O4/c1-23-15-9-13-6-8-20(11-14(13)10-16(15)24-2)18(22)12-19-7-4-3-5-17(19)21/h3-5,7,9-10H,6,8,11-12H2,1-2H3
InChIKeyNOFPMGWDFVQQRC-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.45
Rot. Bonds4

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

1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyridin-2-one (PubChem CID 4968013) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyridin-2-one
PubChem CID4968013
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyridin-2-one
SMILESCOc1cc2c(cc1OC)CN(C(=O)Cn1ccccc1=O)CC2
InChIInChI=1S/C18H20N2O4/c1-23-15-9-13-6-8-20(11-14(13)10-16(15)24-2)18(22)12-19-7-4-3-5-17(19)21/h3-5,7,9-10H,6,8,11-12H2,1-2H3
InChIKeyNOFPMGWDFVQQRC-UHFFFAOYSA-N
XLogP1.45
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinoline
CID 27694
1-(7-Hydroxy-6-methoxy-3,4-dihydroisoquinolin-2(1H)-yl)propan-1-one
CID 24812799
2-((2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl) amino)-N-(4-fluorophenyl)acetamide (35a)
CID 86766188
N-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 5302342
2-Benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 35914
8-Oxopseudopalmatine
CID 392605
6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinecarbaldehyde
CID 11138678
2-((2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl) amino)-N-phenylacetamide (HWL-892)
CID 86766187
N-(cyclohexylcarbamoyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 2088214
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenoxypropan-1-one
CID 4881796
Isoquinoline, 2-(2,2-dimethyl-1-oxopropyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-
CID 624005
1-(3,4-Dimethoxybenzoyl)-4-(2-methylbenzyl)piperazine
CID 998067

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyridin-2-one (CID 4968013) is 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyridin-2-one is COc1cc2c(cc1OC)CN(C(=O)Cn1ccccc1=O)CC2.
What is the InChIKey of 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyridin-2-one?
The InChIKey is NOFPMGWDFVQQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-23-15-9-13-6-8-20(11-14(13)10-16(15)24-2)18(22)12-19-7-4-3-5-17(19)21/h3-5,7,9-10H,6,8,11-12H2,1-2H3.
What are the key properties of 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyridin-2-one?
1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyridin-2-one has a molecular weight of 328.37 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 4968013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).