(5R)-5-(3-oxo-3-quinolin-8-ylpropyl)-1-(2-phenylbenzoyl)pyrrolidin-3-one

C29H24N2O3 — CID 147245093

IUPAC(5R)-5-(3-oxo-3-quinolin-8-ylpropyl)-1-(2-phenylbenzoyl)pyrrolidin-3-one
SMILESO=C1C[C@@H](CCC(=O)c2cccc3cccnc23)N(C(=O)c2ccccc2-c2ccccc2)C1
InChIInChI=1S/C29H24N2O3/c32-23-18-22(15-16-27(33)26-14-6-10-21-11-7-17-30-28(21)26)31(19-23)29(34)25-13-5-4-12-24(25)20-8-2-1-3-9-20/h1-14,17,22H,15-16,18-19H2/t22-/m1/s1
InChIKeyCLNUCJLVEMQVOE-JOCHJYFZSA-N
MW448.52 g/mol
LogP5.35
Rot. Bonds6

About (5R)-5-(3-oxo-3-quinolin-8-ylpropyl)-1-(2-phenylbenzoyl)pyrrolidin-3-one

(5R)-5-(3-oxo-3-quinolin-8-ylpropyl)-1-(2-phenylbenzoyl)pyrrolidin-3-one (PubChem CID 147245093) has the molecular formula C29H24N2O3 and a molecular weight of 448.52 g/mol. Its IUPAC name is (5R)-5-(3-oxo-3-quinolin-8-ylpropyl)-1-(2-phenylbenzoyl)pyrrolidin-3-one.

Molecular Properties

Compound Name(5R)-5-(3-oxo-3-quinolin-8-ylpropyl)-1-(2-phenylbenzoyl)pyrrolidin-3-one
PubChem CID147245093
Molecular FormulaC29H24N2O3
Molecular Weight448.52 g/mol
Exact Mass448.18
IUPAC Name(5R)-5-(3-oxo-3-quinolin-8-ylpropyl)-1-(2-phenylbenzoyl)pyrrolidin-3-one
SMILESO=C1C[C@@H](CCC(=O)c2cccc3cccnc23)N(C(=O)c2ccccc2-c2ccccc2)C1
InChIInChI=1S/C29H24N2O3/c32-23-18-22(15-16-27(33)26-14-6-10-21-11-7-17-30-28(21)26)31(19-23)29(34)25-13-5-4-12-24(25)20-8-2-1-3-9-20/h1-14,17,22H,15-16,18-19H2/t22-/m1/s1
InChIKeyCLNUCJLVEMQVOE-JOCHJYFZSA-N
XLogP5.35
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(3-oxo-3-quinolin-8-ylpropyl)-1-(2-phenylbenzoyl)pyrrolidin-3-one?
The IUPAC name of (5R)-5-(3-oxo-3-quinolin-8-ylpropyl)-1-(2-phenylbenzoyl)pyrrolidin-3-one (CID 147245093) is (5R)-5-(3-oxo-3-quinolin-8-ylpropyl)-1-(2-phenylbenzoyl)pyrrolidin-3-one.
What is the SMILES notation for (5R)-5-(3-oxo-3-quinolin-8-ylpropyl)-1-(2-phenylbenzoyl)pyrrolidin-3-one?
The canonical SMILES for (5R)-5-(3-oxo-3-quinolin-8-ylpropyl)-1-(2-phenylbenzoyl)pyrrolidin-3-one is O=C1C[C@@H](CCC(=O)c2cccc3cccnc23)N(C(=O)c2ccccc2-c2ccccc2)C1.
What is the InChIKey of (5R)-5-(3-oxo-3-quinolin-8-ylpropyl)-1-(2-phenylbenzoyl)pyrrolidin-3-one?
The InChIKey is CLNUCJLVEMQVOE-JOCHJYFZSA-N. The full InChI is InChI=1S/C29H24N2O3/c32-23-18-22(15-16-27(33)26-14-6-10-21-11-7-17-30-28(21)26)31(19-23)29(34)25-13-5-4-12-24(25)20-8-2-1-3-9-20/h1-14,17,22H,15-16,18-19H2/t22-/m1/s1.
What are the key properties of (5R)-5-(3-oxo-3-quinolin-8-ylpropyl)-1-(2-phenylbenzoyl)pyrrolidin-3-one?
(5R)-5-(3-oxo-3-quinolin-8-ylpropyl)-1-(2-phenylbenzoyl)pyrrolidin-3-one has a molecular weight of 448.52 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(3-oxo-3-quinolin-8-ylpropyl)-1-(2-phenylbenzoyl)pyrrolidin-3-one is sourced from PubChem (CID 147245093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).