1-[2-(3,4-Dimethoxyphenyl)ethyl]-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione

HCID 336541

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Basic information

CAS: 2349-40-8
Standard SMILES: COc1ccc(CCN2C(=O)CCC3=C2CCCC3=O)cc1OC
InChIKey: PYOVYEYGDRSQGH-UHFFFAOYSA-N
Molecular formula: C19H23NO4
Average molar mass: 329.4 g/mol
Monoisotopic mass: 329.16270821

Names & identifiers

Preferred name: 1-[2-(3,4-Dimethoxyphenyl)ethyl]-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione
IUPAC: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

Names & synonyms

2349-40-8MCD1ZGZ3HA1-(2-(3,4-Dimethoxyphenyl)ethyl)-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedioneUNII-MCD1ZGZ3HANSC 351289NSC-351289DTXSID801780542,5(1H,3H)-QUINOLINEDIONE, 1-(2-(3,4-DIMETHOXYPHENYL)ETHYL)-4,6,7,8-TETRAHYDRO-2,5(1H,3H)-QUINOLINEDIONE, 1-(3,4-DIMETHOXYPHENETHYL)-4,6,7,8-TETRAHYDRO-1-[2-(3,4-Dimethoxyphenyl)ethyl]-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedioneRefChem:74028DTXCID10100545

Show more names

NSC351289MLS0031710961-[2-(3,4-dimethoxyphenyl)ethyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dioneCHEMBL2359665SMR0018750051-[2-(3,4-Dimethoxyphenyl)ethyl]-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione

Database identifiers

CAS: 2349-40-8
PubChem CID: 336541
DTXSID: DTXSID80178054
ChEMBL: CHEMBL2359665
UNII: MCD1ZGZ3HA

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 55.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 527

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