N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzo[f]quinoline-5-carboxamide

C26H23N3O2 — CID 78884282

IUPACN-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzo[f]quinoline-5-carboxamide
SMILESO=C(NCc1cccc(CN2CCCC2=O)c1)c1cc2ccccc2c2cccnc12
InChIInChI=1S/C26H23N3O2/c30-24-11-5-13-29(24)17-19-7-3-6-18(14-19)16-28-26(31)23-15-20-8-1-2-9-21(20)22-10-4-12-27-25(22)23/h1-4,6-10,12,14-15H,5,11,13,16-17H2,(H,28,31)
InChIKeyPFXIMMHLCNYGDL-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.44
Rot. Bonds5

About N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzo[f]quinoline-5-carboxamide

N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzo[f]quinoline-5-carboxamide (PubChem CID 78884282) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzo[f]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzo[f]quinoline-5-carboxamide
PubChem CID78884282
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC NameN-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzo[f]quinoline-5-carboxamide
SMILESO=C(NCc1cccc(CN2CCCC2=O)c1)c1cc2ccccc2c2cccnc12
InChIInChI=1S/C26H23N3O2/c30-24-11-5-13-29(24)17-19-7-3-6-18(14-19)16-28-26(31)23-15-20-8-1-2-9-21(20)22-10-4-12-27-25(22)23/h1-4,6-10,12,14-15H,5,11,13,16-17H2,(H,28,31)
InChIKeyPFXIMMHLCNYGDL-UHFFFAOYSA-N
XLogP4.44
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzo[f]quinoline-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55893796
7-fluoro-2,3-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide
CID 112841648
2,5-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide
CID 86981622
5-amino-2-methyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 120621582
N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55953532
N-[[4-(carbamoylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55754135
2,4-dimethoxy-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 86981629
3-(2-methylpropyl)-4-oxo-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]phthalazine-1-carboxamide
CID 78868539
4-(2-methylsulfanylimidazol-1-yl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 78888342
1-[(3-methylphenyl)methyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 38387385
2-(1-adamantyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 78868533
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 56517786

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzo[f]quinoline-5-carboxamide?
The IUPAC name of N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzo[f]quinoline-5-carboxamide (CID 78884282) is N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzo[f]quinoline-5-carboxamide.
What is the SMILES notation for N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzo[f]quinoline-5-carboxamide?
The canonical SMILES for N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzo[f]quinoline-5-carboxamide is O=C(NCc1cccc(CN2CCCC2=O)c1)c1cc2ccccc2c2cccnc12.
What is the InChIKey of N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzo[f]quinoline-5-carboxamide?
The InChIKey is PFXIMMHLCNYGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c30-24-11-5-13-29(24)17-19-7-3-6-18(14-19)16-28-26(31)23-15-20-8-1-2-9-21(20)22-10-4-12-27-25(22)23/h1-4,6-10,12,14-15H,5,11,13,16-17H2,(H,28,31).
What are the key properties of N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzo[f]quinoline-5-carboxamide?
N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzo[f]quinoline-5-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzo[f]quinoline-5-carboxamide is sourced from PubChem (CID 78884282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).