4,8-dimethyl-2-pyrrolidin-1-ylquinoline

C15H18N2 — CID 3741252

IUPAC4,8-dimethyl-2-pyrrolidin-1-ylquinoline
SMILESCc1cc(N2CCCC2)nc2c(C)cccc12
InChIInChI=1S/C15H18N2/c1-11-6-5-7-13-12(2)10-14(16-15(11)13)17-8-3-4-9-17/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyJFXGOELTARHIOR-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.45
Rot. Bonds1

About 4,8-dimethyl-2-pyrrolidin-1-ylquinoline

4,8-dimethyl-2-pyrrolidin-1-ylquinoline (PubChem CID 3741252) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4,8-dimethyl-2-pyrrolidin-1-ylquinoline.

Molecular Properties

Compound Name4,8-dimethyl-2-pyrrolidin-1-ylquinoline
PubChem CID3741252
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name4,8-dimethyl-2-pyrrolidin-1-ylquinoline
SMILESCc1cc(N2CCCC2)nc2c(C)cccc12
InChIInChI=1S/C15H18N2/c1-11-6-5-7-13-12(2)10-14(16-15(11)13)17-8-3-4-9-17/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyJFXGOELTARHIOR-UHFFFAOYSA-N
XLogP3.45
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-2-pyrrolidin-1-ylquinoline?
The IUPAC name of 4,8-dimethyl-2-pyrrolidin-1-ylquinoline (CID 3741252) is 4,8-dimethyl-2-pyrrolidin-1-ylquinoline.
What is the SMILES notation for 4,8-dimethyl-2-pyrrolidin-1-ylquinoline?
The canonical SMILES for 4,8-dimethyl-2-pyrrolidin-1-ylquinoline is Cc1cc(N2CCCC2)nc2c(C)cccc12.
What is the InChIKey of 4,8-dimethyl-2-pyrrolidin-1-ylquinoline?
The InChIKey is JFXGOELTARHIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-11-6-5-7-13-12(2)10-14(16-15(11)13)17-8-3-4-9-17/h5-7,10H,3-4,8-9H2,1-2H3.
What are the key properties of 4,8-dimethyl-2-pyrrolidin-1-ylquinoline?
4,8-dimethyl-2-pyrrolidin-1-ylquinoline has a molecular weight of 226.32 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-2-pyrrolidin-1-ylquinoline is sourced from PubChem (CID 3741252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).