1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-methoxy-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline

C22H22N2O3 — CID 16727241

IUPAC1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-methoxy-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline
SMILESCOc1ccc2nc(C)c3c(c2c1)N(CC1COc2ccccc2O1)CC3
InChIInChI=1S/C22H22N2O3/c1-14-17-9-10-24(12-16-13-26-20-5-3-4-6-21(20)27-16)22(17)18-11-15(25-2)7-8-19(18)23-14/h3-8,11,16H,9-10,12-13H2,1-2H3
InChIKeyOEHBVJMUGBVLBC-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.75
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-methoxy-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline

1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-methoxy-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline (PubChem CID 16727241) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-methoxy-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-methoxy-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline
PubChem CID16727241
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-methoxy-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline
SMILESCOc1ccc2nc(C)c3c(c2c1)N(CC1COc2ccccc2O1)CC3
InChIInChI=1S/C22H22N2O3/c1-14-17-9-10-24(12-16-13-26-20-5-3-4-6-21(20)27-16)22(17)18-11-15(25-2)7-8-19(18)23-14/h3-8,11,16H,9-10,12-13H2,1-2H3
InChIKeyOEHBVJMUGBVLBC-UHFFFAOYSA-N
XLogP3.75
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-methoxy-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-methoxy-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline (CID 16727241) is 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-methoxy-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-methoxy-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-methoxy-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline is COc1ccc2nc(C)c3c(c2c1)N(CC1COc2ccccc2O1)CC3.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-methoxy-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline?
The InChIKey is OEHBVJMUGBVLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-14-17-9-10-24(12-16-13-26-20-5-3-4-6-21(20)27-16)22(17)18-11-15(25-2)7-8-19(18)23-14/h3-8,11,16H,9-10,12-13H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-methoxy-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline?
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-methoxy-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline has a molecular weight of 362.43 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-methoxy-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline is sourced from PubChem (CID 16727241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).