10-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-10-methyl-5H-pyrrolo[1,2-b]isoquinoline

C24H27NO4 — CID 164621175

IUPAC10-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-10-methyl-5H-pyrrolo[1,2-b]isoquinoline
SMILESCOc1ccc(CC2(C)c3cc(OC)c(OC)cc3Cn3cccc32)cc1OC
InChIInChI=1S/C24H27NO4/c1-24(14-16-8-9-19(26-2)20(11-16)27-3)18-13-22(29-5)21(28-4)12-17(18)15-25-10-6-7-23(24)25/h6-13H,14-15H2,1-5H3
InChIKeyINQOAIUUFCZZCQ-UHFFFAOYSA-N
MW393.48 g/mol
LogP4.43
Rot. Bonds6

About 10-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-10-methyl-5H-pyrrolo[1,2-b]isoquinoline

10-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-10-methyl-5H-pyrrolo[1,2-b]isoquinoline (PubChem CID 164621175) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is 10-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-10-methyl-5H-pyrrolo[1,2-b]isoquinoline.

Molecular Properties

Compound Name10-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-10-methyl-5H-pyrrolo[1,2-b]isoquinoline
PubChem CID164621175
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name10-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-10-methyl-5H-pyrrolo[1,2-b]isoquinoline
SMILESCOc1ccc(CC2(C)c3cc(OC)c(OC)cc3Cn3cccc32)cc1OC
InChIInChI=1S/C24H27NO4/c1-24(14-16-8-9-19(26-2)20(11-16)27-3)18-13-22(29-5)21(28-4)12-17(18)15-25-10-6-7-23(24)25/h6-13H,14-15H2,1-5H3
InChIKeyINQOAIUUFCZZCQ-UHFFFAOYSA-N
XLogP4.43
TPSA41.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 4680
Berberine
CID 2353
Coptisine
CID 72322
Berberine chloride
CID 12456
Papaverine Hydrochloride
CID 6084
Ethaverine
CID 3280
Berberine, sulfate
CID 5351462
Ethaverine Hydrochloride
CID 5702159
Palmatine
CID 19009
Moxaverine
CID 70882
Columbamine
CID 72310
Nitidine, chloride
CID 25659

Frequently Asked Questions

What is the IUPAC name of 10-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-10-methyl-5H-pyrrolo[1,2-b]isoquinoline?
The IUPAC name of 10-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-10-methyl-5H-pyrrolo[1,2-b]isoquinoline (CID 164621175) is 10-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-10-methyl-5H-pyrrolo[1,2-b]isoquinoline.
What is the SMILES notation for 10-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-10-methyl-5H-pyrrolo[1,2-b]isoquinoline?
The canonical SMILES for 10-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-10-methyl-5H-pyrrolo[1,2-b]isoquinoline is COc1ccc(CC2(C)c3cc(OC)c(OC)cc3Cn3cccc32)cc1OC.
What is the InChIKey of 10-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-10-methyl-5H-pyrrolo[1,2-b]isoquinoline?
The InChIKey is INQOAIUUFCZZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-24(14-16-8-9-19(26-2)20(11-16)27-3)18-13-22(29-5)21(28-4)12-17(18)15-25-10-6-7-23(24)25/h6-13H,14-15H2,1-5H3.
What are the key properties of 10-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-10-methyl-5H-pyrrolo[1,2-b]isoquinoline?
10-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-10-methyl-5H-pyrrolo[1,2-b]isoquinoline has a molecular weight of 393.48 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-10-methyl-5H-pyrrolo[1,2-b]isoquinoline is sourced from PubChem (CID 164621175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).