7-pyrrolidin-1-yl-2H-quinolin-3-one

C13H14N2O — CID 68520190

IUPAC7-pyrrolidin-1-yl-2H-quinolin-3-one
SMILESO=C1C=c2ccc(N3CCCC3)cc2=NC1
InChIInChI=1S/C13H14N2O/c16-12-7-10-3-4-11(8-13(10)14-9-12)15-5-1-2-6-15/h3-4,7-8H,1-2,5-6,9H2
InChIKeyOBNVVQVZIMRUGW-UHFFFAOYSA-N
MW214.27 g/mol
LogP0.27
Rot. Bonds1

About 7-pyrrolidin-1-yl-2H-quinolin-3-one

7-pyrrolidin-1-yl-2H-quinolin-3-one (PubChem CID 68520190) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 7-pyrrolidin-1-yl-2H-quinolin-3-one.

Molecular Properties

Compound Name7-pyrrolidin-1-yl-2H-quinolin-3-one
PubChem CID68520190
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name7-pyrrolidin-1-yl-2H-quinolin-3-one
SMILESO=C1C=c2ccc(N3CCCC3)cc2=NC1
InChIInChI=1S/C13H14N2O/c16-12-7-10-3-4-11(8-13(10)14-9-12)15-5-1-2-6-15/h3-4,7-8H,1-2,5-6,9H2
InChIKeyOBNVVQVZIMRUGW-UHFFFAOYSA-N
XLogP0.27
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-pyrrolidin-1-yl-2H-quinolin-3-one?
The IUPAC name of 7-pyrrolidin-1-yl-2H-quinolin-3-one (CID 68520190) is 7-pyrrolidin-1-yl-2H-quinolin-3-one.
What is the SMILES notation for 7-pyrrolidin-1-yl-2H-quinolin-3-one?
The canonical SMILES for 7-pyrrolidin-1-yl-2H-quinolin-3-one is O=C1C=c2ccc(N3CCCC3)cc2=NC1.
What is the InChIKey of 7-pyrrolidin-1-yl-2H-quinolin-3-one?
The InChIKey is OBNVVQVZIMRUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c16-12-7-10-3-4-11(8-13(10)14-9-12)15-5-1-2-6-15/h3-4,7-8H,1-2,5-6,9H2.
What are the key properties of 7-pyrrolidin-1-yl-2H-quinolin-3-one?
7-pyrrolidin-1-yl-2H-quinolin-3-one has a molecular weight of 214.27 g/mol, XLogP of 0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyrrolidin-1-yl-2H-quinolin-3-one is sourced from PubChem (CID 68520190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).