6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)quinoline

C25H31N5 — CID 11647025

IUPAC6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)quinoline
SMILESCc1nc(N2CCCC2)ncc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1
InChIInChI=1S/C25H31N5/c1-18-6-5-14-29(18)15-11-20-7-9-23-21(16-20)8-10-24(28-23)22-17-26-25(27-19(22)2)30-12-3-4-13-30/h7-10,16-18H,3-6,11-15H2,1-2H3/t18-/m1/s1
InChIKeyDWAOPDWPKFXRII-GOSISDBHSA-N
MW401.56 g/mol
LogP4.63
Rot. Bonds5

About 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)quinoline

6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)quinoline (PubChem CID 11647025) has the molecular formula C25H31N5 and a molecular weight of 401.56 g/mol. Its IUPAC name is 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)quinoline.

Molecular Properties

Compound Name6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)quinoline
PubChem CID11647025
Molecular FormulaC25H31N5
Molecular Weight401.56 g/mol
Exact Mass401.26
IUPAC Name6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)quinoline
SMILESCc1nc(N2CCCC2)ncc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1
InChIInChI=1S/C25H31N5/c1-18-6-5-14-29(18)15-11-20-7-9-23-21(16-20)8-10-24(28-23)22-17-26-25(27-19(22)2)30-12-3-4-13-30/h7-10,16-18H,3-6,11-15H2,1-2H3/t18-/m1/s1
InChIKeyDWAOPDWPKFXRII-GOSISDBHSA-N
XLogP4.63
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)quinoline?
The IUPAC name of 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)quinoline (CID 11647025) is 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)quinoline.
What is the SMILES notation for 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)quinoline?
The canonical SMILES for 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)quinoline is Cc1nc(N2CCCC2)ncc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1.
What is the InChIKey of 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)quinoline?
The InChIKey is DWAOPDWPKFXRII-GOSISDBHSA-N. The full InChI is InChI=1S/C25H31N5/c1-18-6-5-14-29(18)15-11-20-7-9-23-21(16-20)8-10-24(28-23)22-17-26-25(27-19(22)2)30-12-3-4-13-30/h7-10,16-18H,3-6,11-15H2,1-2H3/t18-/m1/s1.
What are the key properties of 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)quinoline?
6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)quinoline has a molecular weight of 401.56 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)quinoline is sourced from PubChem (CID 11647025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).