7-amino-1-(5-bromofuran-2-carbonyl)-3-methylquinolin-2-one

C15H11BrN2O3 — CID 110668257

IUPAC7-amino-1-(5-bromofuran-2-carbonyl)-3-methylquinolin-2-one
SMILESCc1cc2ccc(N)cc2n(C(=O)c2ccc(Br)o2)c1=O
InChIInChI=1S/C15H11BrN2O3/c1-8-6-9-2-3-10(17)7-11(9)18(14(8)19)15(20)12-4-5-13(16)21-12/h2-7H,17H2,1H3
InChIKeyITKMPVZXDOXENC-UHFFFAOYSA-N
MW347.17 g/mol
LogP2.94
Rot. Bonds1

About 7-amino-1-(5-bromofuran-2-carbonyl)-3-methylquinolin-2-one

7-amino-1-(5-bromofuran-2-carbonyl)-3-methylquinolin-2-one (PubChem CID 110668257) has the molecular formula C15H11BrN2O3 and a molecular weight of 347.17 g/mol. Its IUPAC name is 7-amino-1-(5-bromofuran-2-carbonyl)-3-methylquinolin-2-one.

Molecular Properties

Compound Name7-amino-1-(5-bromofuran-2-carbonyl)-3-methylquinolin-2-one
PubChem CID110668257
Molecular FormulaC15H11BrN2O3
Molecular Weight347.17 g/mol
Exact Mass346.00
IUPAC Name7-amino-1-(5-bromofuran-2-carbonyl)-3-methylquinolin-2-one
SMILESCc1cc2ccc(N)cc2n(C(=O)c2ccc(Br)o2)c1=O
InChIInChI=1S/C15H11BrN2O3/c1-8-6-9-2-3-10(17)7-11(9)18(14(8)19)15(20)12-4-5-13(16)21-12/h2-7H,17H2,1H3
InChIKeyITKMPVZXDOXENC-UHFFFAOYSA-N
XLogP2.94
TPSA78.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(5-bromofuran-2-carbonyl)-3-methylquinolin-2-one?
The IUPAC name of 7-amino-1-(5-bromofuran-2-carbonyl)-3-methylquinolin-2-one (CID 110668257) is 7-amino-1-(5-bromofuran-2-carbonyl)-3-methylquinolin-2-one.
What is the SMILES notation for 7-amino-1-(5-bromofuran-2-carbonyl)-3-methylquinolin-2-one?
The canonical SMILES for 7-amino-1-(5-bromofuran-2-carbonyl)-3-methylquinolin-2-one is Cc1cc2ccc(N)cc2n(C(=O)c2ccc(Br)o2)c1=O.
What is the InChIKey of 7-amino-1-(5-bromofuran-2-carbonyl)-3-methylquinolin-2-one?
The InChIKey is ITKMPVZXDOXENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O3/c1-8-6-9-2-3-10(17)7-11(9)18(14(8)19)15(20)12-4-5-13(16)21-12/h2-7H,17H2,1H3.
What are the key properties of 7-amino-1-(5-bromofuran-2-carbonyl)-3-methylquinolin-2-one?
7-amino-1-(5-bromofuran-2-carbonyl)-3-methylquinolin-2-one has a molecular weight of 347.17 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(5-bromofuran-2-carbonyl)-3-methylquinolin-2-one is sourced from PubChem (CID 110668257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).