N-(5-bromoquinolin-8-yl)-2-nitrobenzamide

C16H10BrN3O3 — CID 1332037

IUPACN-(5-bromoquinolin-8-yl)-2-nitrobenzamide
SMILESO=C(Nc1ccc(Br)c2cccnc12)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H10BrN3O3/c17-12-7-8-13(15-10(12)5-3-9-18-15)19-16(21)11-4-1-2-6-14(11)20(22)23/h1-9H,(H,19,21)
InChIKeyLOMHARLWVXZICE-UHFFFAOYSA-N
MW372.18 g/mol
LogP4.16
Rot. Bonds3

About N-(5-bromoquinolin-8-yl)-2-nitrobenzamide

N-(5-bromoquinolin-8-yl)-2-nitrobenzamide (PubChem CID 1332037) has the molecular formula C16H10BrN3O3 and a molecular weight of 372.18 g/mol. Its IUPAC name is N-(5-bromoquinolin-8-yl)-2-nitrobenzamide.

Molecular Properties

Compound NameN-(5-bromoquinolin-8-yl)-2-nitrobenzamide
PubChem CID1332037
Molecular FormulaC16H10BrN3O3
Molecular Weight372.18 g/mol
Exact Mass370.99
IUPAC NameN-(5-bromoquinolin-8-yl)-2-nitrobenzamide
SMILESO=C(Nc1ccc(Br)c2cccnc12)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H10BrN3O3/c17-12-7-8-13(15-10(12)5-3-9-18-15)19-16(21)11-4-1-2-6-14(11)20(22)23/h1-9H,(H,19,21)
InChIKeyLOMHARLWVXZICE-UHFFFAOYSA-N
XLogP4.16
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.18
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

N-(5-bromoquinolin-8-yl)-1-ethyl-4-nitropyrazole-5-carboxamide
CID 19476311
N-(5-bromoquinolin-8-yl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19266397
2-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide
CID 15997975
N-[4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide
CID 19592856
N-(5-bromoquinolin-8-yl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539010
N-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide
CID 35286890
2-[(5-bromoquinolin-8-yl)amino]-2-oxoacetic acid
CID 22742503
N-(5-bromoquinolin-8-yl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474197
2-[2-[(5-bromoquinolin-8-yl)amino]-2-oxoethyl]benzoic acid
CID 56761360
N-(5-bromoquinolin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414453
N-(3-chloro-2-pyridinyl)-2-nitrobenzamide
CID 113347276
N-(5-bromoquinolin-8-yl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280667

Frequently Asked Questions

What is the IUPAC name of N-(5-bromoquinolin-8-yl)-2-nitrobenzamide?
The IUPAC name of N-(5-bromoquinolin-8-yl)-2-nitrobenzamide (CID 1332037) is N-(5-bromoquinolin-8-yl)-2-nitrobenzamide.
What is the SMILES notation for N-(5-bromoquinolin-8-yl)-2-nitrobenzamide?
The canonical SMILES for N-(5-bromoquinolin-8-yl)-2-nitrobenzamide is O=C(Nc1ccc(Br)c2cccnc12)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(5-bromoquinolin-8-yl)-2-nitrobenzamide?
The InChIKey is LOMHARLWVXZICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3O3/c17-12-7-8-13(15-10(12)5-3-9-18-15)19-16(21)11-4-1-2-6-14(11)20(22)23/h1-9H,(H,19,21).
What are the key properties of N-(5-bromoquinolin-8-yl)-2-nitrobenzamide?
N-(5-bromoquinolin-8-yl)-2-nitrobenzamide has a molecular weight of 372.18 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromoquinolin-8-yl)-2-nitrobenzamide is sourced from PubChem (CID 1332037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).