3-bromo-6-nitro-4-phenyl-1H-quinolin-2-one

C15H9BrN2O3 — CID 141227900

IUPAC3-bromo-6-nitro-4-phenyl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc([N+](=O)[O-])cc2c(-c2ccccc2)c1Br
InChIInChI=1S/C15H9BrN2O3/c16-14-13(9-4-2-1-3-5-9)11-8-10(18(20)21)6-7-12(11)17-15(14)19/h1-8H,(H,17,19)
InChIKeyUFZOUWSSHIYFEC-UHFFFAOYSA-N
MW345.15 g/mol
LogP3.87
Rot. Bonds2

About 3-bromo-6-nitro-4-phenyl-1H-quinolin-2-one

3-bromo-6-nitro-4-phenyl-1H-quinolin-2-one (PubChem CID 141227900) has the molecular formula C15H9BrN2O3 and a molecular weight of 345.15 g/mol. Its IUPAC name is 3-bromo-6-nitro-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-bromo-6-nitro-4-phenyl-1H-quinolin-2-one
PubChem CID141227900
Molecular FormulaC15H9BrN2O3
Molecular Weight345.15 g/mol
Exact Mass343.98
IUPAC Name3-bromo-6-nitro-4-phenyl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc([N+](=O)[O-])cc2c(-c2ccccc2)c1Br
InChIInChI=1S/C15H9BrN2O3/c16-14-13(9-4-2-1-3-5-9)11-8-10(18(20)21)6-7-12(11)17-15(14)19/h1-8H,(H,17,19)
InChIKeyUFZOUWSSHIYFEC-UHFFFAOYSA-N
XLogP3.87
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.15
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

ethyl 6-nitro-2-oxo-4-phenyl-1H-quinoline-3-carboxylate
CID 766186
(5-nitro-3-phenyl-1H-indol-2-yl) hydrogen carbonate
CID 68849165
N-[(5-nitro-3-phenyl-1H-indol-2-yl)methyl]propan-2-amine
CID 171983789
3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-6-nitro-4-phenyl-1H-quinolin-2-one
CID 6175110
5-nitro-3-phenyl-2-(piperidin-1-ylmethyl)-1H-indole
CID 746856
4-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-nitro-1H-quinolin-2-one
CID 54034148
6-chloro-3-[3-(3-nitrophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 3091000
6-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 4038142
4-hydroxy-3,6-dinitro-1H-quinolin-2-one
CID 54696471
7-nitro-3-phenyl-1H-quinoxalin-2-one
CID 10754287
6-bromo-9-nitro-1,4-dihydrobenzo[f]quinoxaline-2,3-dione
CID 15066339
4-(6-nitro-4-phenyl-9H-pyrido[2,3-b]indol-3-yl)aniline
CID 58790603

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-nitro-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 3-bromo-6-nitro-4-phenyl-1H-quinolin-2-one (CID 141227900) is 3-bromo-6-nitro-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 3-bromo-6-nitro-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 3-bromo-6-nitro-4-phenyl-1H-quinolin-2-one is O=c1[nH]c2ccc([N+](=O)[O-])cc2c(-c2ccccc2)c1Br.
What is the InChIKey of 3-bromo-6-nitro-4-phenyl-1H-quinolin-2-one?
The InChIKey is UFZOUWSSHIYFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN2O3/c16-14-13(9-4-2-1-3-5-9)11-8-10(18(20)21)6-7-12(11)17-15(14)19/h1-8H,(H,17,19).
What are the key properties of 3-bromo-6-nitro-4-phenyl-1H-quinolin-2-one?
3-bromo-6-nitro-4-phenyl-1H-quinolin-2-one has a molecular weight of 345.15 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-nitro-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 141227900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).