6,8-dimethoxy-1-(4-methoxyphenyl)-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline

C21H22N2O3 — CID 3553673

IUPAC6,8-dimethoxy-1-(4-methoxyphenyl)-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline
SMILESCOc1ccc(N2CCc3c(C)nc4c(OC)cc(OC)cc4c32)cc1
InChIInChI=1S/C21H22N2O3/c1-13-17-9-10-23(14-5-7-15(24-2)8-6-14)21(17)18-11-16(25-3)12-19(26-4)20(18)22-13/h5-8,11-12H,9-10H2,1-4H3
InChIKeyZGSMAKABUUKIGZ-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.26
Rot. Bonds4

About 6,8-dimethoxy-1-(4-methoxyphenyl)-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline

6,8-dimethoxy-1-(4-methoxyphenyl)-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline (PubChem CID 3553673) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 6,8-dimethoxy-1-(4-methoxyphenyl)-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name6,8-dimethoxy-1-(4-methoxyphenyl)-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline
PubChem CID3553673
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name6,8-dimethoxy-1-(4-methoxyphenyl)-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline
SMILESCOc1ccc(N2CCc3c(C)nc4c(OC)cc(OC)cc4c32)cc1
InChIInChI=1S/C21H22N2O3/c1-13-17-9-10-23(14-5-7-15(24-2)8-6-14)21(17)18-11-16(25-3)12-19(26-4)20(18)22-13/h5-8,11-12H,9-10H2,1-4H3
InChIKeyZGSMAKABUUKIGZ-UHFFFAOYSA-N
XLogP4.26
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethoxy-1-(4-methoxyphenyl)-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline?
The IUPAC name of 6,8-dimethoxy-1-(4-methoxyphenyl)-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline (CID 3553673) is 6,8-dimethoxy-1-(4-methoxyphenyl)-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline.
What is the SMILES notation for 6,8-dimethoxy-1-(4-methoxyphenyl)-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline?
The canonical SMILES for 6,8-dimethoxy-1-(4-methoxyphenyl)-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline is COc1ccc(N2CCc3c(C)nc4c(OC)cc(OC)cc4c32)cc1.
What is the InChIKey of 6,8-dimethoxy-1-(4-methoxyphenyl)-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline?
The InChIKey is ZGSMAKABUUKIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-13-17-9-10-23(14-5-7-15(24-2)8-6-14)21(17)18-11-16(25-3)12-19(26-4)20(18)22-13/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 6,8-dimethoxy-1-(4-methoxyphenyl)-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline?
6,8-dimethoxy-1-(4-methoxyphenyl)-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline has a molecular weight of 350.42 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethoxy-1-(4-methoxyphenyl)-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline is sourced from PubChem (CID 3553673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).