7-amino-1-(4-bromobenzoyl)-3-methylquinolin-2-one

C17H13BrN2O2 — CID 110668292

IUPAC7-amino-1-(4-bromobenzoyl)-3-methylquinolin-2-one
SMILESCc1cc2ccc(N)cc2n(C(=O)c2ccc(Br)cc2)c1=O
InChIInChI=1S/C17H13BrN2O2/c1-10-8-12-4-7-14(19)9-15(12)20(16(10)21)17(22)11-2-5-13(18)6-3-11/h2-9H,19H2,1H3
InChIKeyFNFOREZNCDROHX-UHFFFAOYSA-N
MW357.21 g/mol
LogP3.34
Rot. Bonds1

About 7-amino-1-(4-bromobenzoyl)-3-methylquinolin-2-one

7-amino-1-(4-bromobenzoyl)-3-methylquinolin-2-one (PubChem CID 110668292) has the molecular formula C17H13BrN2O2 and a molecular weight of 357.21 g/mol. Its IUPAC name is 7-amino-1-(4-bromobenzoyl)-3-methylquinolin-2-one.

Molecular Properties

Compound Name7-amino-1-(4-bromobenzoyl)-3-methylquinolin-2-one
PubChem CID110668292
Molecular FormulaC17H13BrN2O2
Molecular Weight357.21 g/mol
Exact Mass356.02
IUPAC Name7-amino-1-(4-bromobenzoyl)-3-methylquinolin-2-one
SMILESCc1cc2ccc(N)cc2n(C(=O)c2ccc(Br)cc2)c1=O
InChIInChI=1S/C17H13BrN2O2/c1-10-8-12-4-7-14(19)9-15(12)20(16(10)21)17(22)11-2-5-13(18)6-3-11/h2-9H,19H2,1H3
InChIKeyFNFOREZNCDROHX-UHFFFAOYSA-N
XLogP3.34
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-1-(4-bromobenzoyl)-3-methylquinolin-2-one?
The IUPAC name of 7-amino-1-(4-bromobenzoyl)-3-methylquinolin-2-one (CID 110668292) is 7-amino-1-(4-bromobenzoyl)-3-methylquinolin-2-one.
What is the SMILES notation for 7-amino-1-(4-bromobenzoyl)-3-methylquinolin-2-one?
The canonical SMILES for 7-amino-1-(4-bromobenzoyl)-3-methylquinolin-2-one is Cc1cc2ccc(N)cc2n(C(=O)c2ccc(Br)cc2)c1=O.
What is the InChIKey of 7-amino-1-(4-bromobenzoyl)-3-methylquinolin-2-one?
The InChIKey is FNFOREZNCDROHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O2/c1-10-8-12-4-7-14(19)9-15(12)20(16(10)21)17(22)11-2-5-13(18)6-3-11/h2-9H,19H2,1H3.
What are the key properties of 7-amino-1-(4-bromobenzoyl)-3-methylquinolin-2-one?
7-amino-1-(4-bromobenzoyl)-3-methylquinolin-2-one has a molecular weight of 357.21 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(4-bromobenzoyl)-3-methylquinolin-2-one is sourced from PubChem (CID 110668292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).