3-[[(2R,11bS)-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-1-methylimidazolidine-2,4-dione

C19H25N3O3 — CID 71112597

IUPAC3-[[(2R,11bS)-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-1-methylimidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)CCN1CC[C@@H](CN3C(=O)CN(C)C3=O)C[C@@H]21
InChIInChI=1S/C19H25N3O3/c1-20-12-18(23)22(19(20)24)11-13-5-7-21-8-6-14-10-15(25-2)3-4-16(14)17(21)9-13/h3-4,10,13,17H,5-9,11-12H2,1-2H3/t13-,17+/m1/s1
InChIKeyDOZSWIWLSILJNG-DYVFJYSZSA-N
MW343.43 g/mol
LogP1.90
Rot. Bonds3

About 3-[[(2R,11bS)-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-1-methylimidazolidine-2,4-dione

3-[[(2R,11bS)-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-1-methylimidazolidine-2,4-dione (PubChem CID 71112597) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-[[(2R,11bS)-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[(2R,11bS)-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-1-methylimidazolidine-2,4-dione
PubChem CID71112597
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name3-[[(2R,11bS)-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-1-methylimidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)CCN1CC[C@@H](CN3C(=O)CN(C)C3=O)C[C@@H]21
InChIInChI=1S/C19H25N3O3/c1-20-12-18(23)22(19(20)24)11-13-5-7-21-8-6-14-10-15(25-2)3-4-16(14)17(21)9-13/h3-4,10,13,17H,5-9,11-12H2,1-2H3/t13-,17+/m1/s1
InChIKeyDOZSWIWLSILJNG-DYVFJYSZSA-N
XLogP1.90
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[(2R,11bS)-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-1-methylimidazolidine-2,4-dione with MolForge

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Related Compounds

(2R,11bS)-9-methoxy-N-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine
CID 67567262
4-hydroxy-3-[2-(9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)ethyl]-1-phenylimidazol-2-one
CID 123989642
(11bS)-9-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
CID 67568151
N-(9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-N-methylethanesulfonamide;hydrochloride
CID 67568383
N-(9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-N-methylpropane-1-sulfonamide
CID 67568380
(8aS,12aR,13aS)-3-methoxy-12-methylsulfonyl-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine
CID 14307688
3-methoxy-12-propylsulfonyl-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine
CID 19836813
(8aS,12aR,13aS)-12-(2-chloroethylsulfonyl)-3-methoxy-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine
CID 67881539
[(2R,11bS)-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methanamine
CID 71112848
(9-iodo-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methanamine
CID 163575422
(1S,11S,15R)-5-methoxy-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-one
CID 10446656
bis((8aR,12aS,13aS)-3-methoxy-12-methylsulfonyl-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine);propanedioic acid
CID 173361467

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R,11bS)-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[[(2R,11bS)-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-1-methylimidazolidine-2,4-dione (CID 71112597) is 3-[[(2R,11bS)-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[(2R,11bS)-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[(2R,11bS)-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-1-methylimidazolidine-2,4-dione is COc1ccc2c(c1)CCN1CC[C@@H](CN3C(=O)CN(C)C3=O)C[C@@H]21.
What is the InChIKey of 3-[[(2R,11bS)-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is DOZSWIWLSILJNG-DYVFJYSZSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-20-12-18(23)22(19(20)24)11-13-5-7-21-8-6-14-10-15(25-2)3-4-16(14)17(21)9-13/h3-4,10,13,17H,5-9,11-12H2,1-2H3/t13-,17+/m1/s1.
What are the key properties of 3-[[(2R,11bS)-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-1-methylimidazolidine-2,4-dione?
3-[[(2R,11bS)-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 343.43 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R,11bS)-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 71112597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).