7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione

C16H13NO3 — CID 736902

IUPAC7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione
SMILESCOc1ccc2c(c1)C(=O)N(c1ccccc1)C(=O)C2
InChIInChI=1S/C16H13NO3/c1-20-13-8-7-11-9-15(18)17(16(19)14(11)10-13)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3
InChIKeyKSLUUXJHFSKWNH-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.42
Rot. Bonds2

About 7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione

7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione (PubChem CID 736902) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione.

Molecular Properties

Compound Name7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione
PubChem CID736902
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione
SMILESCOc1ccc2c(c1)C(=O)N(c1ccccc1)C(=O)C2
InChIInChI=1S/C16H13NO3/c1-20-13-8-7-11-9-15(18)17(16(19)14(11)10-13)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3
InChIKeyKSLUUXJHFSKWNH-UHFFFAOYSA-N
XLogP2.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Benzamide, N-(1-naphthyl)-3-methoxy-
CID 531845
3,4-dihydro-1(2H)-quinolinyl(4-methoxyphenyl)methanone
CID 710667
N-((2S,4R)-1-(3-methoxybenzoyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylacetamide
CID 7097680
3-methoxy-N-(4-methylphenyl)benzamide
CID 827641
3-methoxy-N-phenylbenzamide
CID 835330
N-(4-methoxyphenyl)-2-methylbenzamide
CID 531865
1H-Isoindole-1,3(2H)-dione, 2-(4-methoxy-2-methylphenyl)-
CID 10492042
3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645
3-methoxy-N-(2-naphthyl)benzamide
CID 835337
3-methoxy-N-{4-[(phenylacetyl)amino]phenyl}benzamide
CID 1306000
(3-methoxyphenyl)-N-(2-phenylphenyl)carboxamide
CID 2707579
2-(2,4-dimethylphenyl)-7-methoxy-4,4-dimethyl-1,3(2H,4H)-isoquinolinedione
CID 7037502

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione?
The IUPAC name of 7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione (CID 736902) is 7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione.
What is the SMILES notation for 7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione?
The canonical SMILES for 7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione is COc1ccc2c(c1)C(=O)N(c1ccccc1)C(=O)C2.
What is the InChIKey of 7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione?
The InChIKey is KSLUUXJHFSKWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-20-13-8-7-11-9-15(18)17(16(19)14(11)10-13)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3.
What are the key properties of 7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione?
7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione has a molecular weight of 267.28 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione is sourced from PubChem (CID 736902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).