6-amino-7-(5-bromo-2-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one

C15H13BrFN3O — CID 43555546

IUPAC6-amino-7-(5-bromo-2-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1Nc1cc(Br)ccc1F)NC(=O)CC2
InChIInChI=1S/C15H13BrFN3O/c16-9-2-3-10(17)13(6-9)19-14-7-12-8(5-11(14)18)1-4-15(21)20-12/h2-3,5-7,19H,1,4,18H2,(H,20,21)
InChIKeySJBNGSBVFCZHPG-UHFFFAOYSA-N
MW350.19 g/mol
LogP3.80
Rot. Bonds2

About 6-amino-7-(5-bromo-2-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one

6-amino-7-(5-bromo-2-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43555546) has the molecular formula C15H13BrFN3O and a molecular weight of 350.19 g/mol. Its IUPAC name is 6-amino-7-(5-bromo-2-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-(5-bromo-2-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one
PubChem CID43555546
Molecular FormulaC15H13BrFN3O
Molecular Weight350.19 g/mol
Exact Mass349.02
IUPAC Name6-amino-7-(5-bromo-2-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1Nc1cc(Br)ccc1F)NC(=O)CC2
InChIInChI=1S/C15H13BrFN3O/c16-9-2-3-10(17)13(6-9)19-14-7-12-8(5-11(14)18)1-4-15(21)20-12/h2-3,5-7,19H,1,4,18H2,(H,20,21)
InChIKeySJBNGSBVFCZHPG-UHFFFAOYSA-N
XLogP3.80
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.19
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-7-(5-chloro-2-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one
CID 43455637
7-amino-6-(5-bromo-2-methylanilino)-3,4-dihydro-1H-quinolin-2-one
CID 43805901
6-amino-7-(2,3-difluoroanilino)-3,4-dihydro-1H-quinolin-2-one
CID 61075174
6-amino-7-(2-chloro-5-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one
CID 107526799
4-bromo-2-N-(5-bromo-2-fluorophenyl)benzene-1,2-diamine
CID 65343677
2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-4-bromobenzonitrile
CID 107797097
5-amino-6-(2,4,5-trifluoroanilino)-1,3-dihydroindol-2-one
CID 62814499
7-amino-6-(4-chloro-3-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one
CID 61466760
6-amino-7-bromo-3,4-dihydro-1H-quinolin-2-one
CID 117209588
5-amino-6-(4-fluoroanilino)-1,3-dihydroindol-2-one
CID 43451771
6-amino-7-(ethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455516
4-[(7-amino-2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]benzonitrile
CID 43449875

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-(5-bromo-2-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-(5-bromo-2-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one (CID 43555546) is 6-amino-7-(5-bromo-2-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-(5-bromo-2-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-(5-bromo-2-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one is Nc1cc2c(cc1Nc1cc(Br)ccc1F)NC(=O)CC2.
What is the InChIKey of 6-amino-7-(5-bromo-2-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is SJBNGSBVFCZHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN3O/c16-9-2-3-10(17)13(6-9)19-14-7-12-8(5-11(14)18)1-4-15(21)20-12/h2-3,5-7,19H,1,4,18H2,(H,20,21).
What are the key properties of 6-amino-7-(5-bromo-2-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-(5-bromo-2-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 350.19 g/mol, XLogP of 3.80, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(5-bromo-2-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43555546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).