10b-butyl-8,9-dimethoxy-1,1,2-trimethyl-5,6-dihydroimidazo[5,1-a]isoquinolin-3-one

C20H30N2O3 — CID 102001951

IUPAC10b-butyl-8,9-dimethoxy-1,1,2-trimethyl-5,6-dihydroimidazo[5,1-a]isoquinolin-3-one
SMILESCCCCC12c3cc(OC)c(OC)cc3CCN1C(=O)N(C)C2(C)C
InChIInChI=1S/C20H30N2O3/c1-7-8-10-20-15-13-17(25-6)16(24-5)12-14(15)9-11-22(20)18(23)21(4)19(20,2)3/h12-13H,7-11H2,1-6H3
InChIKeyVRMPYMOAGFENPV-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.79
Rot. Bonds5

About 10b-butyl-8,9-dimethoxy-1,1,2-trimethyl-5,6-dihydroimidazo[5,1-a]isoquinolin-3-one

10b-butyl-8,9-dimethoxy-1,1,2-trimethyl-5,6-dihydroimidazo[5,1-a]isoquinolin-3-one (PubChem CID 102001951) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 10b-butyl-8,9-dimethoxy-1,1,2-trimethyl-5,6-dihydroimidazo[5,1-a]isoquinolin-3-one.

Molecular Properties

Compound Name10b-butyl-8,9-dimethoxy-1,1,2-trimethyl-5,6-dihydroimidazo[5,1-a]isoquinolin-3-one
PubChem CID102001951
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name10b-butyl-8,9-dimethoxy-1,1,2-trimethyl-5,6-dihydroimidazo[5,1-a]isoquinolin-3-one
SMILESCCCCC12c3cc(OC)c(OC)cc3CCN1C(=O)N(C)C2(C)C
InChIInChI=1S/C20H30N2O3/c1-7-8-10-20-15-13-17(25-6)16(24-5)12-14(15)9-11-22(20)18(23)21(4)19(20,2)3/h12-13H,7-11H2,1-6H3
InChIKeyVRMPYMOAGFENPV-UHFFFAOYSA-N
XLogP3.79
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10b-butyl-8,9-dimethoxy-1,1,2-trimethyl-5,6-dihydroimidazo[5,1-a]isoquinolin-3-one with MolForge

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Related Compounds

(1R,10bR)-1-benzyl-10b-butyl-8,9-dimethoxy-1-methyl-5,6-dihydro-[1,3]thiazolo[4,3-a]isoquinolin-3-one
CID 10670080
8,9-dimethoxy-10b-methyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one
CID 15834177
4-[(10bR)-8,9-dimethoxy-3-oxo-5,6-dihydropyrrolo[2,1-a]isoquinolin-10b-yl]butanal
CID 11324508
4,5,16,17-tetramethoxy-12,24-diphenyl-10,12,22,24-tetrazahexacyclo[11.11.0.01,10.02,7.013,22.014,19]tetracosa-2,4,6,14,16,18-hexaene-11,23-dione
CID 101079633
6-methoxy-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine
CID 142365913
6,7-dimethoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
CID 22673
1,1-dichloro-9b-(1-chloroethyl)-7,8-dimethoxy-4,5-dihydroazeto[2,1-a]isoquinolin-2-one
CID 11793180
6,7-dimethoxy-1-methyl-2-[(2S)-2-methylbutanoyl]-3,4-dihydroisoquinoline-1-carbonitrile
CID 16744865
(10bR)-8,9-dimethoxy-10b-(3-oxobutyl)-2,3,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-1-one
CID 54672595
(1S,13R)-4,5-dimethoxy-14-oxa-10-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-triene-11,15-dione
CID 11808847
N-hexyl-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1-imine
CID 3651775
7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 23462892

Frequently Asked Questions

What is the IUPAC name of 10b-butyl-8,9-dimethoxy-1,1,2-trimethyl-5,6-dihydroimidazo[5,1-a]isoquinolin-3-one?
The IUPAC name of 10b-butyl-8,9-dimethoxy-1,1,2-trimethyl-5,6-dihydroimidazo[5,1-a]isoquinolin-3-one (CID 102001951) is 10b-butyl-8,9-dimethoxy-1,1,2-trimethyl-5,6-dihydroimidazo[5,1-a]isoquinolin-3-one.
What is the SMILES notation for 10b-butyl-8,9-dimethoxy-1,1,2-trimethyl-5,6-dihydroimidazo[5,1-a]isoquinolin-3-one?
The canonical SMILES for 10b-butyl-8,9-dimethoxy-1,1,2-trimethyl-5,6-dihydroimidazo[5,1-a]isoquinolin-3-one is CCCCC12c3cc(OC)c(OC)cc3CCN1C(=O)N(C)C2(C)C.
What is the InChIKey of 10b-butyl-8,9-dimethoxy-1,1,2-trimethyl-5,6-dihydroimidazo[5,1-a]isoquinolin-3-one?
The InChIKey is VRMPYMOAGFENPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-7-8-10-20-15-13-17(25-6)16(24-5)12-14(15)9-11-22(20)18(23)21(4)19(20,2)3/h12-13H,7-11H2,1-6H3.
What are the key properties of 10b-butyl-8,9-dimethoxy-1,1,2-trimethyl-5,6-dihydroimidazo[5,1-a]isoquinolin-3-one?
10b-butyl-8,9-dimethoxy-1,1,2-trimethyl-5,6-dihydroimidazo[5,1-a]isoquinolin-3-one has a molecular weight of 346.47 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10b-butyl-8,9-dimethoxy-1,1,2-trimethyl-5,6-dihydroimidazo[5,1-a]isoquinolin-3-one is sourced from PubChem (CID 102001951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).