acetic acid;6-pyrrolidin-2-ylquinoline

C15H18N2O2 — CID 16740812

IUPACacetic acid;6-pyrrolidin-2-ylquinoline
SMILESCC(=O)O.c1cnc2ccc(C3CCCN3)cc2c1
InChIInChI=1S/C13H14N2.C2H4O2/c1-3-10-9-11(12-4-2-8-14-12)5-6-13(10)15-7-1;1-2(3)4/h1,3,5-7,9,12,14H,2,4,8H2;1H3,(H,3,4)
InChIKeyFXKOJNXSSKHMGW-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.75
Rot. Bonds1

About acetic acid;6-pyrrolidin-2-ylquinoline

acetic acid;6-pyrrolidin-2-ylquinoline (PubChem CID 16740812) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is acetic acid;6-pyrrolidin-2-ylquinoline.

Molecular Properties

Compound Nameacetic acid;6-pyrrolidin-2-ylquinoline
PubChem CID16740812
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Nameacetic acid;6-pyrrolidin-2-ylquinoline
SMILESCC(=O)O.c1cnc2ccc(C3CCCN3)cc2c1
InChIInChI=1S/C13H14N2.C2H4O2/c1-3-10-9-11(12-4-2-8-14-12)5-6-13(10)15-7-1;1-2(3)4/h1,3,5-7,9,12,14H,2,4,8H2;1H3,(H,3,4)
InChIKeyFXKOJNXSSKHMGW-UHFFFAOYSA-N
XLogP2.75
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze acetic acid;6-pyrrolidin-2-ylquinoline 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 acetic acid;6-pyrrolidin-2-ylquinoline?
The IUPAC name of acetic acid;6-pyrrolidin-2-ylquinoline (CID 16740812) is acetic acid;6-pyrrolidin-2-ylquinoline.
What is the SMILES notation for acetic acid;6-pyrrolidin-2-ylquinoline?
The canonical SMILES for acetic acid;6-pyrrolidin-2-ylquinoline is CC(=O)O.c1cnc2ccc(C3CCCN3)cc2c1.
What is the InChIKey of acetic acid;6-pyrrolidin-2-ylquinoline?
The InChIKey is FXKOJNXSSKHMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2.C2H4O2/c1-3-10-9-11(12-4-2-8-14-12)5-6-13(10)15-7-1;1-2(3)4/h1,3,5-7,9,12,14H,2,4,8H2;1H3,(H,3,4).
What are the key properties of acetic acid;6-pyrrolidin-2-ylquinoline?
acetic acid;6-pyrrolidin-2-ylquinoline has a molecular weight of 258.32 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;6-pyrrolidin-2-ylquinoline is sourced from PubChem (CID 16740812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).