7-methoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-one

C16H15NO2 — CID 3625279

IUPAC7-methoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-one
SMILESCOc1ccc2c(c1)C(c1ccccc1)NC(=O)C2
InChIInChI=1S/C16H15NO2/c1-19-13-8-7-12-9-15(18)17-16(14(12)10-13)11-5-3-2-4-6-11/h2-8,10,16H,9H2,1H3,(H,17,18)
InChIKeyDQMHTMYONMEBJW-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.46
Rot. Bonds2

About 7-methoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-one

7-methoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-one (PubChem CID 3625279) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 7-methoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-one.

Molecular Properties

Compound Name7-methoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-one
PubChem CID3625279
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name7-methoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-one
SMILESCOc1ccc2c(c1)C(c1ccccc1)NC(=O)C2
InChIInChI=1S/C16H15NO2/c1-19-13-8-7-12-9-15(18)17-16(14(12)10-13)11-5-3-2-4-6-11/h2-8,10,16H,9H2,1H3,(H,17,18)
InChIKeyDQMHTMYONMEBJW-UHFFFAOYSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-one?
The IUPAC name of 7-methoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-one (CID 3625279) is 7-methoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-one.
What is the SMILES notation for 7-methoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-one?
The canonical SMILES for 7-methoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-one is COc1ccc2c(c1)C(c1ccccc1)NC(=O)C2.
What is the InChIKey of 7-methoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-one?
The InChIKey is DQMHTMYONMEBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-19-13-8-7-12-9-15(18)17-16(14(12)10-13)11-5-3-2-4-6-11/h2-8,10,16H,9H2,1H3,(H,17,18).
What are the key properties of 7-methoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-one?
7-methoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-one has a molecular weight of 253.30 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-one is sourced from PubChem (CID 3625279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).