1-ethoxy-6-methoxy-2,4-dihydro-1H-isoquinolin-3-one

C12H15NO3 — CID 123530237

IUPAC1-ethoxy-6-methoxy-2,4-dihydro-1H-isoquinolin-3-one
SMILESCCOC1NC(=O)Cc2cc(OC)ccc21
InChIInChI=1S/C12H15NO3/c1-3-16-12-10-5-4-9(15-2)6-8(10)7-11(14)13-12/h4-6,12H,3,7H2,1-2H3,(H,13,14)
InChIKeyCULPLAXDYOHFQL-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.40
Rot. Bonds3

About 1-ethoxy-6-methoxy-2,4-dihydro-1H-isoquinolin-3-one

1-ethoxy-6-methoxy-2,4-dihydro-1H-isoquinolin-3-one (PubChem CID 123530237) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-ethoxy-6-methoxy-2,4-dihydro-1H-isoquinolin-3-one.

Molecular Properties

Compound Name1-ethoxy-6-methoxy-2,4-dihydro-1H-isoquinolin-3-one
PubChem CID123530237
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name1-ethoxy-6-methoxy-2,4-dihydro-1H-isoquinolin-3-one
SMILESCCOC1NC(=O)Cc2cc(OC)ccc21
InChIInChI=1S/C12H15NO3/c1-3-16-12-10-5-4-9(15-2)6-8(10)7-11(14)13-12/h4-6,12H,3,7H2,1-2H3,(H,13,14)
InChIKeyCULPLAXDYOHFQL-UHFFFAOYSA-N
XLogP1.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-5-methoxy-1,3-dihydroinden-2-one
CID 14640419
6,7-dimethoxy-1-(4-methoxyphenyl)-2,4-dihydro-1H-isoquinolin-3-one
CID 6456492
1-methoxy-7-propoxy-2,4-dihydro-1H-isoquinolin-3-one
CID 123455144
5-methoxy-1-phenyl-1,3-dihydroinden-2-one
CID 14640420
6-methoxy-2a,3,4,8b-tetrahydro-1H-naphtho[1,2-b]azet-2-one
CID 66350309
6-methoxy-4H-1,2-benzothiazin-3-one
CID 67643031
(3-methoxy-9,10-dihydroanthracen-9-yl)methanamine;hydrobromide
CID 25139016
ethyl 2,2-difluoro-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate
CID 142856006
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
N-(3-ethoxycyclobutyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103921144
N-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]butanamide
CID 22922665
(8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-yl) ethanesulfonate
CID 141150419

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-6-methoxy-2,4-dihydro-1H-isoquinolin-3-one?
The IUPAC name of 1-ethoxy-6-methoxy-2,4-dihydro-1H-isoquinolin-3-one (CID 123530237) is 1-ethoxy-6-methoxy-2,4-dihydro-1H-isoquinolin-3-one.
What is the SMILES notation for 1-ethoxy-6-methoxy-2,4-dihydro-1H-isoquinolin-3-one?
The canonical SMILES for 1-ethoxy-6-methoxy-2,4-dihydro-1H-isoquinolin-3-one is CCOC1NC(=O)Cc2cc(OC)ccc21.
What is the InChIKey of 1-ethoxy-6-methoxy-2,4-dihydro-1H-isoquinolin-3-one?
The InChIKey is CULPLAXDYOHFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-3-16-12-10-5-4-9(15-2)6-8(10)7-11(14)13-12/h4-6,12H,3,7H2,1-2H3,(H,13,14).
What are the key properties of 1-ethoxy-6-methoxy-2,4-dihydro-1H-isoquinolin-3-one?
1-ethoxy-6-methoxy-2,4-dihydro-1H-isoquinolin-3-one has a molecular weight of 221.26 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-6-methoxy-2,4-dihydro-1H-isoquinolin-3-one is sourced from PubChem (CID 123530237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).