4-(4-bromophenyl)-8-nitro-1H-quinolin-2-one

C15H9BrN2O3 — CID 118728040

IUPAC4-(4-bromophenyl)-8-nitro-1H-quinolin-2-one
SMILESO=c1cc(-c2ccc(Br)cc2)c2cccc([N+](=O)[O-])c2[nH]1
InChIInChI=1S/C15H9BrN2O3/c16-10-6-4-9(5-7-10)12-8-14(19)17-15-11(12)2-1-3-13(15)18(20)21/h1-8H,(H,17,19)
InChIKeyOFYOXVHPZBNMGP-UHFFFAOYSA-N
MW345.15 g/mol
LogP3.87
Rot. Bonds2

About 4-(4-bromophenyl)-8-nitro-1H-quinolin-2-one

4-(4-bromophenyl)-8-nitro-1H-quinolin-2-one (PubChem CID 118728040) has the molecular formula C15H9BrN2O3 and a molecular weight of 345.15 g/mol. Its IUPAC name is 4-(4-bromophenyl)-8-nitro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-8-nitro-1H-quinolin-2-one
PubChem CID118728040
Molecular FormulaC15H9BrN2O3
Molecular Weight345.15 g/mol
Exact Mass343.98
IUPAC Name4-(4-bromophenyl)-8-nitro-1H-quinolin-2-one
SMILESO=c1cc(-c2ccc(Br)cc2)c2cccc([N+](=O)[O-])c2[nH]1
InChIInChI=1S/C15H9BrN2O3/c16-10-6-4-9(5-7-10)12-8-14(19)17-15-11(12)2-1-3-13(15)18(20)21/h1-8H,(H,17,19)
InChIKeyOFYOXVHPZBNMGP-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

8-nitro-4-[4-(trifluoromethyl)phenyl]-1H-quinolin-2-one
CID 102503290
4-(2-fluorophenyl)sulfanyl-8-nitro-1H-quinolin-2-one
CID 118732011
8-bromo-4-phenyl-1H-quinolin-2-one
CID 43322930
5-bromo-8-nitro-1H-quinolin-2-one
CID 146673558
8-nitro-1H-3,1-benzoxazine-2,4-dione
CID 10899806
2,3-dimethyl-8-nitro-1H-quinolin-4-one
CID 139782421
6-(5-bromo-2-nitrophenyl)-12-phenylchrysene
CID 87414662
4-bromo-1-nitro-2-(4-phenylphenyl)benzene
CID 144601418
5-(4-bromophenyl)-4-nitro-2-(trifluoromethyl)pyridine
CID 155583552
6-bromo-10-nitro-1,4-dihydrobenzo[f]quinoxaline-2,3-dione
CID 15066340
1-nitro-7-(trifluoromethyl)-9H-carbazole
CID 68927273
4-(4-nitrophenyl)-1,7-dihydropyrazolo[5,4-b]pyridin-6-one
CID 141335946

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-8-nitro-1H-quinolin-2-one?
The IUPAC name of 4-(4-bromophenyl)-8-nitro-1H-quinolin-2-one (CID 118728040) is 4-(4-bromophenyl)-8-nitro-1H-quinolin-2-one.
What is the SMILES notation for 4-(4-bromophenyl)-8-nitro-1H-quinolin-2-one?
The canonical SMILES for 4-(4-bromophenyl)-8-nitro-1H-quinolin-2-one is O=c1cc(-c2ccc(Br)cc2)c2cccc([N+](=O)[O-])c2[nH]1.
What is the InChIKey of 4-(4-bromophenyl)-8-nitro-1H-quinolin-2-one?
The InChIKey is OFYOXVHPZBNMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN2O3/c16-10-6-4-9(5-7-10)12-8-14(19)17-15-11(12)2-1-3-13(15)18(20)21/h1-8H,(H,17,19).
What are the key properties of 4-(4-bromophenyl)-8-nitro-1H-quinolin-2-one?
4-(4-bromophenyl)-8-nitro-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 4-(4-bromophenyl)-8-nitro-1H-quinolin-2-one is sourced from PubChem (CID 118728040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).