2-[3-(dimethylamino)-4-methoxyphenyl]-3H-isoindol-1-one

C17H18N2O2 — CID 25267017

IUPAC2-[3-(dimethylamino)-4-methoxyphenyl]-3H-isoindol-1-one
SMILESCOc1ccc(N2Cc3ccccc3C2=O)cc1N(C)C
InChIInChI=1S/C17H18N2O2/c1-18(2)15-10-13(8-9-16(15)21-3)19-11-12-6-4-5-7-14(12)17(19)20/h4-10H,11H2,1-3H3
InChIKeyKZEHRFSSYHRJJQ-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.92
Rot. Bonds3

About 2-[3-(dimethylamino)-4-methoxyphenyl]-3H-isoindol-1-one

2-[3-(dimethylamino)-4-methoxyphenyl]-3H-isoindol-1-one (PubChem CID 25267017) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-4-methoxyphenyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[3-(dimethylamino)-4-methoxyphenyl]-3H-isoindol-1-one
PubChem CID25267017
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-[3-(dimethylamino)-4-methoxyphenyl]-3H-isoindol-1-one
SMILESCOc1ccc(N2Cc3ccccc3C2=O)cc1N(C)C
InChIInChI=1S/C17H18N2O2/c1-18(2)15-10-13(8-9-16(15)21-3)19-11-12-6-4-5-7-14(12)17(19)20/h4-10H,11H2,1-3H3
InChIKeyKZEHRFSSYHRJJQ-UHFFFAOYSA-N
XLogP2.92
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-3H-isoindol-1-one
CID 2836108
4-methoxy-N-[2-methoxy-4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide
CID 91678072
2-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]-3H-isoindol-1-one
CID 91677921
2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]isoindole-1,3-dione
CID 168517450
6-amino-2-(3,4-dimethoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 57006155
6-amino-2-(3,4-dimethoxyphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one
CID 67669552
2-(1-methylindol-5-yl)-3H-isoindol-1-one
CID 59543218
2-(4-isocyanatophenyl)-3H-isoindol-1-one
CID 169353440
2-[4-(3-oxo-1H-isoindol-2-yl)phenoxy]propanoic acid
CID 71339265
2-(3-cyclopentyloxy-4-methoxyphenyl)-N-(1,3-dioxoisoindol-2-yl)-3-oxo-1H-isoindole-5-carboxamide
CID 142665259
2-(4-fluoro-3-methoxyphenyl)-3H-isoindol-1-imine
CID 114840084
10,11-dimethoxy-8,14-dihydro-7H-isoquinolino[2,3-c][3]benzazepin-5-one
CID 102396971

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)-4-methoxyphenyl]-3H-isoindol-1-one?
The IUPAC name of 2-[3-(dimethylamino)-4-methoxyphenyl]-3H-isoindol-1-one (CID 25267017) is 2-[3-(dimethylamino)-4-methoxyphenyl]-3H-isoindol-1-one.
What is the SMILES notation for 2-[3-(dimethylamino)-4-methoxyphenyl]-3H-isoindol-1-one?
The canonical SMILES for 2-[3-(dimethylamino)-4-methoxyphenyl]-3H-isoindol-1-one is COc1ccc(N2Cc3ccccc3C2=O)cc1N(C)C.
What is the InChIKey of 2-[3-(dimethylamino)-4-methoxyphenyl]-3H-isoindol-1-one?
The InChIKey is KZEHRFSSYHRJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-18(2)15-10-13(8-9-16(15)21-3)19-11-12-6-4-5-7-14(12)17(19)20/h4-10H,11H2,1-3H3.
What are the key properties of 2-[3-(dimethylamino)-4-methoxyphenyl]-3H-isoindol-1-one?
2-[3-(dimethylamino)-4-methoxyphenyl]-3H-isoindol-1-one has a molecular weight of 282.34 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-4-methoxyphenyl]-3H-isoindol-1-one is sourced from PubChem (CID 25267017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).