N-[[4-oxo-1-(2-phenylbenzoyl)pyrrolidin-2-yl]methyl]quinoline-8-carboxamide

C28H23N3O3 — CID 78156933

IUPACN-[[4-oxo-1-(2-phenylbenzoyl)pyrrolidin-2-yl]methyl]quinoline-8-carboxamide
SMILESO=C1CC(CNC(=O)c2cccc3cccnc23)N(C(=O)c2ccccc2-c2ccccc2)C1
InChIInChI=1S/C28H23N3O3/c32-22-16-21(17-30-27(33)25-14-6-10-20-11-7-15-29-26(20)25)31(18-22)28(34)24-13-5-4-12-23(24)19-8-2-1-3-9-19/h1-15,21H,16-18H2,(H,30,33)
InChIKeyKECRXHHEZOOQQI-UHFFFAOYSA-N
MW449.51 g/mol
LogP4.12
Rot. Bonds5

About N-[[4-oxo-1-(2-phenylbenzoyl)pyrrolidin-2-yl]methyl]quinoline-8-carboxamide

N-[[4-oxo-1-(2-phenylbenzoyl)pyrrolidin-2-yl]methyl]quinoline-8-carboxamide (PubChem CID 78156933) has the molecular formula C28H23N3O3 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-[[4-oxo-1-(2-phenylbenzoyl)pyrrolidin-2-yl]methyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[[4-oxo-1-(2-phenylbenzoyl)pyrrolidin-2-yl]methyl]quinoline-8-carboxamide
PubChem CID78156933
Molecular FormulaC28H23N3O3
Molecular Weight449.51 g/mol
Exact Mass449.17
IUPAC NameN-[[4-oxo-1-(2-phenylbenzoyl)pyrrolidin-2-yl]methyl]quinoline-8-carboxamide
SMILESO=C1CC(CNC(=O)c2cccc3cccnc23)N(C(=O)c2ccccc2-c2ccccc2)C1
InChIInChI=1S/C28H23N3O3/c32-22-16-21(17-30-27(33)25-14-6-10-20-11-7-15-29-26(20)25)31(18-22)28(34)24-13-5-4-12-23(24)19-8-2-1-3-9-19/h1-15,21H,16-18H2,(H,30,33)
InChIKeyKECRXHHEZOOQQI-UHFFFAOYSA-N
XLogP4.12
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-oxo-1-(2-phenylbenzoyl)pyrrolidin-2-yl]methyl]quinoline-8-carboxamide?
The IUPAC name of N-[[4-oxo-1-(2-phenylbenzoyl)pyrrolidin-2-yl]methyl]quinoline-8-carboxamide (CID 78156933) is N-[[4-oxo-1-(2-phenylbenzoyl)pyrrolidin-2-yl]methyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[[4-oxo-1-(2-phenylbenzoyl)pyrrolidin-2-yl]methyl]quinoline-8-carboxamide?
The canonical SMILES for N-[[4-oxo-1-(2-phenylbenzoyl)pyrrolidin-2-yl]methyl]quinoline-8-carboxamide is O=C1CC(CNC(=O)c2cccc3cccnc23)N(C(=O)c2ccccc2-c2ccccc2)C1.
What is the InChIKey of N-[[4-oxo-1-(2-phenylbenzoyl)pyrrolidin-2-yl]methyl]quinoline-8-carboxamide?
The InChIKey is KECRXHHEZOOQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O3/c32-22-16-21(17-30-27(33)25-14-6-10-20-11-7-15-29-26(20)25)31(18-22)28(34)24-13-5-4-12-23(24)19-8-2-1-3-9-19/h1-15,21H,16-18H2,(H,30,33).
What are the key properties of N-[[4-oxo-1-(2-phenylbenzoyl)pyrrolidin-2-yl]methyl]quinoline-8-carboxamide?
N-[[4-oxo-1-(2-phenylbenzoyl)pyrrolidin-2-yl]methyl]quinoline-8-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-oxo-1-(2-phenylbenzoyl)pyrrolidin-2-yl]methyl]quinoline-8-carboxamide is sourced from PubChem (CID 78156933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).