7-bromo-2-(4-nitrophenyl)-2,3-dihydro-1H-quinolin-4-one

C15H11BrN2O3 — CID 11660254

IUPAC7-bromo-2-(4-nitrophenyl)-2,3-dihydro-1H-quinolin-4-one
SMILESO=C1CC(c2ccc([N+](=O)[O-])cc2)Nc2cc(Br)ccc21
InChIInChI=1S/C15H11BrN2O3/c16-10-3-6-12-14(7-10)17-13(8-15(12)19)9-1-4-11(5-2-9)18(20)21/h1-7,13,17H,8H2
InChIKeyMQEBXLMQNILUQN-UHFFFAOYSA-N
MW347.17 g/mol
LogP4.10
Rot. Bonds2

About 7-bromo-2-(4-nitrophenyl)-2,3-dihydro-1H-quinolin-4-one

7-bromo-2-(4-nitrophenyl)-2,3-dihydro-1H-quinolin-4-one (PubChem CID 11660254) has the molecular formula C15H11BrN2O3 and a molecular weight of 347.17 g/mol. Its IUPAC name is 7-bromo-2-(4-nitrophenyl)-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name7-bromo-2-(4-nitrophenyl)-2,3-dihydro-1H-quinolin-4-one
PubChem CID11660254
Molecular FormulaC15H11BrN2O3
Molecular Weight347.17 g/mol
Exact Mass346.00
IUPAC Name7-bromo-2-(4-nitrophenyl)-2,3-dihydro-1H-quinolin-4-one
SMILESO=C1CC(c2ccc([N+](=O)[O-])cc2)Nc2cc(Br)ccc21
InChIInChI=1S/C15H11BrN2O3/c16-10-3-6-12-14(7-10)17-13(8-15(12)19)9-1-4-11(5-2-9)18(20)21/h1-7,13,17H,8H2
InChIKeyMQEBXLMQNILUQN-UHFFFAOYSA-N
XLogP4.10
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 54.10
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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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(4-nitrophenyl)-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of 7-bromo-2-(4-nitrophenyl)-2,3-dihydro-1H-quinolin-4-one (CID 11660254) is 7-bromo-2-(4-nitrophenyl)-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for 7-bromo-2-(4-nitrophenyl)-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for 7-bromo-2-(4-nitrophenyl)-2,3-dihydro-1H-quinolin-4-one is O=C1CC(c2ccc([N+](=O)[O-])cc2)Nc2cc(Br)ccc21.
What is the InChIKey of 7-bromo-2-(4-nitrophenyl)-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is MQEBXLMQNILUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O3/c16-10-3-6-12-14(7-10)17-13(8-15(12)19)9-1-4-11(5-2-9)18(20)21/h1-7,13,17H,8H2.
What are the key properties of 7-bromo-2-(4-nitrophenyl)-2,3-dihydro-1H-quinolin-4-one?
7-bromo-2-(4-nitrophenyl)-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 347.17 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(4-nitrophenyl)-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 11660254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).