N-[4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide

C20H17N5O4 — CID 19592856

IUPACN-[4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide
SMILESCN1CCN(c2ccnc3c(NC(=O)c4ccccc4[N+](=O)[O-])cccc23)C1=O
InChIInChI=1S/C20H17N5O4/c1-23-11-12-24(20(23)27)16-9-10-21-18-13(16)6-4-7-15(18)22-19(26)14-5-2-3-8-17(14)25(28)29/h2-10H,11-12H2,1H3,(H,22,26)
InChIKeyZZPMWBMVURKMTG-UHFFFAOYSA-N
MW391.39 g/mol
LogP3.27
Rot. Bonds4

About N-[4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide

N-[4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide (PubChem CID 19592856) has the molecular formula C20H17N5O4 and a molecular weight of 391.39 g/mol. Its IUPAC name is N-[4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide
PubChem CID19592856
Molecular FormulaC20H17N5O4
Molecular Weight391.39 g/mol
Exact Mass391.13
IUPAC NameN-[4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide
SMILESCN1CCN(c2ccnc3c(NC(=O)c4ccccc4[N+](=O)[O-])cccc23)C1=O
InChIInChI=1S/C20H17N5O4/c1-23-11-12-24(20(23)27)16-9-10-21-18-13(16)6-4-7-15(18)22-19(26)14-5-2-3-8-17(14)25(28)29/h2-10H,11-12H2,1H3,(H,22,26)
InChIKeyZZPMWBMVURKMTG-UHFFFAOYSA-N
XLogP3.27
TPSA108.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide?
The IUPAC name of N-[4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide (CID 19592856) is N-[4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide.
What is the SMILES notation for N-[4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide?
The canonical SMILES for N-[4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide is CN1CCN(c2ccnc3c(NC(=O)c4ccccc4[N+](=O)[O-])cccc23)C1=O.
What is the InChIKey of N-[4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide?
The InChIKey is ZZPMWBMVURKMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4/c1-23-11-12-24(20(23)27)16-9-10-21-18-13(16)6-4-7-15(18)22-19(26)14-5-2-3-8-17(14)25(28)29/h2-10H,11-12H2,1H3,(H,22,26).
What are the key properties of N-[4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide?
N-[4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide has a molecular weight of 391.39 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide is sourced from PubChem (CID 19592856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).