10b-(4-methoxyphenyl)-1-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one

C19H20N2O2 — CID 21398454

IUPAC10b-(4-methoxyphenyl)-1-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one
SMILESCOc1ccc(C23c4ccccc4C(=O)N2CCCN3C)cc1
InChIInChI=1S/C19H20N2O2/c1-20-12-5-13-21-18(22)16-6-3-4-7-17(16)19(20,21)14-8-10-15(23-2)11-9-14/h3-4,6-11H,5,12-13H2,1-2H3
InChIKeyXEMUBPAXADOFDO-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.69
Rot. Bonds2

About 10b-(4-methoxyphenyl)-1-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one

10b-(4-methoxyphenyl)-1-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one (PubChem CID 21398454) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 10b-(4-methoxyphenyl)-1-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one.

Molecular Properties

Compound Name10b-(4-methoxyphenyl)-1-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one
PubChem CID21398454
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name10b-(4-methoxyphenyl)-1-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one
SMILESCOc1ccc(C23c4ccccc4C(=O)N2CCCN3C)cc1
InChIInChI=1S/C19H20N2O2/c1-20-12-5-13-21-18(22)16-6-3-4-7-17(16)19(20,21)14-8-10-15(23-2)11-9-14/h3-4,6-11H,5,12-13H2,1-2H3
InChIKeyXEMUBPAXADOFDO-UHFFFAOYSA-N
XLogP2.69
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-9b-(4-methylphenyl)-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide
CID 11350484
(9bS)-9b-(4-methoxyphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one
CID 7332720
1-(3-fluorobenzoyl)-9b-(4-methoxyphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 71737782
1-benzyl-10b-(4-methylphenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one
CID 59025836
10b-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one
CID 44721723
1-benzyl-10b-(4-chlorophenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one
CID 59025765
9b-(4-chlorophenyl)-1-(2-methoxybenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 118724894
9b-(4-chlorophenyl)-1-(2-methoxyacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 59025950
1,9b-dimethyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 21398427
1-(4-phenoxybenzoyl)-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 71607099
8-chloro-9b-(4-methoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one
CID 67918755
(2S,3S)-2,3-diacetyloxy-4-[(9bR)-9b-(4-chlorophenyl)-5-oxo-2,3-dihydroimidazo[2,1-a]isoindol-1-yl]-4-oxobutanoic acid
CID 59026003

Frequently Asked Questions

What is the IUPAC name of 10b-(4-methoxyphenyl)-1-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one?
The IUPAC name of 10b-(4-methoxyphenyl)-1-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one (CID 21398454) is 10b-(4-methoxyphenyl)-1-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one.
What is the SMILES notation for 10b-(4-methoxyphenyl)-1-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one?
The canonical SMILES for 10b-(4-methoxyphenyl)-1-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one is COc1ccc(C23c4ccccc4C(=O)N2CCCN3C)cc1.
What is the InChIKey of 10b-(4-methoxyphenyl)-1-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one?
The InChIKey is XEMUBPAXADOFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-20-12-5-13-21-18(22)16-6-3-4-7-17(16)19(20,21)14-8-10-15(23-2)11-9-14/h3-4,6-11H,5,12-13H2,1-2H3.
What are the key properties of 10b-(4-methoxyphenyl)-1-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one?
10b-(4-methoxyphenyl)-1-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one has a molecular weight of 308.38 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10b-(4-methoxyphenyl)-1-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one is sourced from PubChem (CID 21398454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).