7-[(3,5-dimethoxyphenyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline

C23H26N2O3 — CID 22641311

IUPAC7-[(3,5-dimethoxyphenyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline
SMILESCOc1cc(COc2ccc3c(N4CCCC4)cc(C)nc3c2)cc(OC)c1
InChIInChI=1S/C23H26N2O3/c1-16-10-23(25-8-4-5-9-25)21-7-6-18(14-22(21)24-16)28-15-17-11-19(26-2)13-20(12-17)27-3/h6-7,10-14H,4-5,8-9,15H2,1-3H3
InChIKeyIDFXLNBGDSLJEN-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.74
Rot. Bonds6

About 7-[(3,5-dimethoxyphenyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline

7-[(3,5-dimethoxyphenyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline (PubChem CID 22641311) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 7-[(3,5-dimethoxyphenyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline.

Molecular Properties

Compound Name7-[(3,5-dimethoxyphenyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline
PubChem CID22641311
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name7-[(3,5-dimethoxyphenyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline
SMILESCOc1cc(COc2ccc3c(N4CCCC4)cc(C)nc3c2)cc(OC)c1
InChIInChI=1S/C23H26N2O3/c1-16-10-23(25-8-4-5-9-25)21-7-6-18(14-22(21)24-16)28-15-17-11-19(26-2)13-20(12-17)27-3/h6-7,10-14H,4-5,8-9,15H2,1-3H3
InChIKeyIDFXLNBGDSLJEN-UHFFFAOYSA-N
XLogP4.74
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(3,5-dimethoxyphenyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline?
The IUPAC name of 7-[(3,5-dimethoxyphenyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline (CID 22641311) is 7-[(3,5-dimethoxyphenyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline.
What is the SMILES notation for 7-[(3,5-dimethoxyphenyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline?
The canonical SMILES for 7-[(3,5-dimethoxyphenyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline is COc1cc(COc2ccc3c(N4CCCC4)cc(C)nc3c2)cc(OC)c1.
What is the InChIKey of 7-[(3,5-dimethoxyphenyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline?
The InChIKey is IDFXLNBGDSLJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-16-10-23(25-8-4-5-9-25)21-7-6-18(14-22(21)24-16)28-15-17-11-19(26-2)13-20(12-17)27-3/h6-7,10-14H,4-5,8-9,15H2,1-3H3.
What are the key properties of 7-[(3,5-dimethoxyphenyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline?
7-[(3,5-dimethoxyphenyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline has a molecular weight of 378.47 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,5-dimethoxyphenyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline is sourced from PubChem (CID 22641311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).