4-hydroxy-3-[2-(9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)ethyl]-1-phenylimidazol-2-one

C25H29N3O3 — CID 123989642

IUPAC4-hydroxy-3-[2-(9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)ethyl]-1-phenylimidazol-2-one
SMILESCOc1ccc2c(c1)CCN1CCC(CCn3c(O)cn(-c4ccccc4)c3=O)CC21
InChIInChI=1S/C25H29N3O3/c1-31-21-7-8-22-19(16-21)11-13-26-12-9-18(15-23(22)26)10-14-27-24(29)17-28(25(27)30)20-5-3-2-4-6-20/h2-8,16-18,23,29H,9-15H2,1H3
InChIKeyIPTFCTOQLJTQNY-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.75
Rot. Bonds5

About 4-hydroxy-3-[2-(9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)ethyl]-1-phenylimidazol-2-one

4-hydroxy-3-[2-(9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)ethyl]-1-phenylimidazol-2-one (PubChem CID 123989642) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 4-hydroxy-3-[2-(9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)ethyl]-1-phenylimidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[2-(9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)ethyl]-1-phenylimidazol-2-one
PubChem CID123989642
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name4-hydroxy-3-[2-(9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)ethyl]-1-phenylimidazol-2-one
SMILESCOc1ccc2c(c1)CCN1CCC(CCn3c(O)cn(-c4ccccc4)c3=O)CC21
InChIInChI=1S/C25H29N3O3/c1-31-21-7-8-22-19(16-21)11-13-26-12-9-18(15-23(22)26)10-14-27-24(29)17-28(25(27)30)20-5-3-2-4-6-20/h2-8,16-18,23,29H,9-15H2,1H3
InChIKeyIPTFCTOQLJTQNY-UHFFFAOYSA-N
XLogP3.75
TPSA59.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-hydroxy-3-[2-(9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)ethyl]-1-phenylimidazol-2-one with MolForge

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Launch Full Analysis

Related Compounds

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
(2R,11bS)-9-methoxy-N-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine
CID 67567262
(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
(8aR,12aS,13aS)-3-methoxy-N-phenyl-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine-12-carboxamide
CID 15086883
phenyl 3-methoxy-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine-12-carboxylate
CID 22166646
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
2-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]acetic acid
CID 65069242
(8R,13aS)-3-methoxy-8-phenyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-10,11-diol
CID 118001155
[(2R,11bS)-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methanamine
CID 71112848
5-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-phenylpyrrolidin-2-one
CID 110633714

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[2-(9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)ethyl]-1-phenylimidazol-2-one?
The IUPAC name of 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) is 4-hydroxy-3-[2-(9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)ethyl]-1-phenylimidazol-2-one.
What is the SMILES notation for 4-hydroxy-3-[2-(9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)ethyl]-1-phenylimidazol-2-one?
The canonical SMILES for 4-hydroxy-3-[2-(9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)ethyl]-1-phenylimidazol-2-one is COc1ccc2c(c1)CCN1CCC(CCn3c(O)cn(-c4ccccc4)c3=O)CC21.
What is the InChIKey of 4-hydroxy-3-[2-(9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)ethyl]-1-phenylimidazol-2-one?
The InChIKey is IPTFCTOQLJTQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-31-21-7-8-22-19(16-21)11-13-26-12-9-18(15-23(22)26)10-14-27-24(29)17-28(25(27)30)20-5-3-2-4-6-20/h2-8,16-18,23,29H,9-15H2,1H3.
What are the key properties of 4-hydroxy-3-[2-(9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)ethyl]-1-phenylimidazol-2-one?
4-hydroxy-3-[2-(9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)ethyl]-1-phenylimidazol-2-one has a molecular weight of 419.53 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[2-(9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)ethyl]-1-phenylimidazol-2-one is sourced from PubChem (CID 123989642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).