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

C22H21N5O5 — CID 19592503

IUPACN-[3-(methoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide
SMILESCOCc1cnc2c(NC(=O)c3ccccc3[N+](=O)[O-])cccc2c1N1CCN(C)C1=O
InChIInChI=1S/C22H21N5O5/c1-25-10-11-26(22(25)29)20-14(13-32-2)12-23-19-16(20)7-5-8-17(19)24-21(28)15-6-3-4-9-18(15)27(30)31/h3-9,12H,10-11,13H2,1-2H3,(H,24,28)
InChIKeyBOKYZCOHDANNBR-UHFFFAOYSA-N
MW435.44 g/mol
LogP3.41
Rot. Bonds6

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

N-[3-(methoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide (PubChem CID 19592503) has the molecular formula C22H21N5O5 and a molecular weight of 435.44 g/mol. Its IUPAC name is N-[3-(methoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[3-(methoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide
PubChem CID19592503
Molecular FormulaC22H21N5O5
Molecular Weight435.44 g/mol
Exact Mass435.15
IUPAC NameN-[3-(methoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide
SMILESCOCc1cnc2c(NC(=O)c3ccccc3[N+](=O)[O-])cccc2c1N1CCN(C)C1=O
InChIInChI=1S/C22H21N5O5/c1-25-10-11-26(22(25)29)20-14(13-32-2)12-23-19-16(20)7-5-8-17(19)24-21(28)15-6-3-4-9-18(15)27(30)31/h3-9,12H,10-11,13H2,1-2H3,(H,24,28)
InChIKeyBOKYZCOHDANNBR-UHFFFAOYSA-N
XLogP3.41
TPSA117.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-(methoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide 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-[4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide
CID 19592856
2,6-dichloro-N-[3-(ethoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]benzamide
CID 19592451
N-[3-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2,3-dihydro-1H-indole-4-carboxamide
CID 139782388
N-[3-bromo-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 139782527
N-[3-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]pyridine-4-carboxamide
CID 139782439
2-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide
CID 15997975
methyl 2-[[2-[[2-[(2-nitrobenzoyl)amino]benzoyl]amino]benzoyl]amino]benzoate
CID 12618654
N-(5-bromoquinolin-8-yl)-2-nitrobenzamide
CID 1332037
N-(1-methyl-4-oxoquinolin-3-yl)-2-nitrobenzamide
CID 53359987
2,6-dichloro-N-[3-(methoxymethyl)-4-pyrazol-1-ylquinolin-8-yl]benzamide
CID 19592781
N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-nitrobenzamide
CID 2960558
ethyl 4-[2-[(2-nitrobenzoyl)amino]benzoyl]piperazine-1-carboxylate
CID 17311376

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide?
The IUPAC name of N-[3-(methoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide (CID 19592503) is N-[3-(methoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide.
What is the SMILES notation for N-[3-(methoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide?
The canonical SMILES for N-[3-(methoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide is COCc1cnc2c(NC(=O)c3ccccc3[N+](=O)[O-])cccc2c1N1CCN(C)C1=O.
What is the InChIKey of N-[3-(methoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide?
The InChIKey is BOKYZCOHDANNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O5/c1-25-10-11-26(22(25)29)20-14(13-32-2)12-23-19-16(20)7-5-8-17(19)24-21(28)15-6-3-4-9-18(15)27(30)31/h3-9,12H,10-11,13H2,1-2H3,(H,24,28).
What are the key properties of N-[3-(methoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide?
N-[3-(methoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide has a molecular weight of 435.44 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide is sourced from PubChem (CID 19592503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).