2-(2-methoxyphenyl)-6-pyrrolidin-1-yl-3H-quinolin-4-one

C20H20N2O2 — CID 66659102

IUPAC2-(2-methoxyphenyl)-6-pyrrolidin-1-yl-3H-quinolin-4-one
SMILESCOc1ccccc1C1=Nc2ccc(N3CCCC3)cc2C(=O)C1
InChIInChI=1S/C20H20N2O2/c1-24-20-7-3-2-6-15(20)18-13-19(23)16-12-14(8-9-17(16)21-18)22-10-4-5-11-22/h2-3,6-9,12H,4-5,10-11,13H2,1H3
InChIKeyNQBHETYEYGCSLX-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.00
Rot. Bonds3

About 2-(2-methoxyphenyl)-6-pyrrolidin-1-yl-3H-quinolin-4-one

2-(2-methoxyphenyl)-6-pyrrolidin-1-yl-3H-quinolin-4-one (PubChem CID 66659102) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-6-pyrrolidin-1-yl-3H-quinolin-4-one.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-6-pyrrolidin-1-yl-3H-quinolin-4-one
PubChem CID66659102
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-(2-methoxyphenyl)-6-pyrrolidin-1-yl-3H-quinolin-4-one
SMILESCOc1ccccc1C1=Nc2ccc(N3CCCC3)cc2C(=O)C1
InChIInChI=1S/C20H20N2O2/c1-24-20-7-3-2-6-15(20)18-13-19(23)16-12-14(8-9-17(16)21-18)22-10-4-5-11-22/h2-3,6-9,12H,4-5,10-11,13H2,1H3
InChIKeyNQBHETYEYGCSLX-UHFFFAOYSA-N
XLogP4.00
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-6-pyrrolidin-1-yl-3H-quinolin-4-one?
The IUPAC name of 2-(2-methoxyphenyl)-6-pyrrolidin-1-yl-3H-quinolin-4-one (CID 66659102) is 2-(2-methoxyphenyl)-6-pyrrolidin-1-yl-3H-quinolin-4-one.
What is the SMILES notation for 2-(2-methoxyphenyl)-6-pyrrolidin-1-yl-3H-quinolin-4-one?
The canonical SMILES for 2-(2-methoxyphenyl)-6-pyrrolidin-1-yl-3H-quinolin-4-one is COc1ccccc1C1=Nc2ccc(N3CCCC3)cc2C(=O)C1.
What is the InChIKey of 2-(2-methoxyphenyl)-6-pyrrolidin-1-yl-3H-quinolin-4-one?
The InChIKey is NQBHETYEYGCSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-24-20-7-3-2-6-15(20)18-13-19(23)16-12-14(8-9-17(16)21-18)22-10-4-5-11-22/h2-3,6-9,12H,4-5,10-11,13H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-6-pyrrolidin-1-yl-3H-quinolin-4-one?
2-(2-methoxyphenyl)-6-pyrrolidin-1-yl-3H-quinolin-4-one has a molecular weight of 320.39 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-6-pyrrolidin-1-yl-3H-quinolin-4-one is sourced from PubChem (CID 66659102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).