7-amino-3-chloro-6-fluoro-3,4-dihydro-1H-quinolin-2-one

C9H8ClFN2O — CID 15091484

IUPAC7-amino-3-chloro-6-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1F)CC(Cl)C(=O)N2
InChIInChI=1S/C9H8ClFN2O/c10-5-1-4-2-6(11)7(12)3-8(4)13-9(5)14/h2-3,5H,1,12H2,(H,13,14)
InChIKeyADXRKIUHUSSZDN-UHFFFAOYSA-N
MW214.63 g/mol
LogP1.51
Rot. Bonds

About 7-amino-3-chloro-6-fluoro-3,4-dihydro-1H-quinolin-2-one

7-amino-3-chloro-6-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 15091484) has the molecular formula C9H8ClFN2O and a molecular weight of 214.63 g/mol. Its IUPAC name is 7-amino-3-chloro-6-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-3-chloro-6-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID15091484
Molecular FormulaC9H8ClFN2O
Molecular Weight214.63 g/mol
Exact Mass214.03
IUPAC Name7-amino-3-chloro-6-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1F)CC(Cl)C(=O)N2
InChIInChI=1S/C9H8ClFN2O/c10-5-1-4-2-6(11)7(12)3-8(4)13-9(5)14/h2-3,5H,1,12H2,(H,13,14)
InChIKeyADXRKIUHUSSZDN-UHFFFAOYSA-N
XLogP1.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.63
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-amino-3-chloro-6-fluoro-3,4-dihydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-chloro-6-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-3-chloro-6-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 15091484) is 7-amino-3-chloro-6-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-3-chloro-6-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-3-chloro-6-fluoro-3,4-dihydro-1H-quinolin-2-one is Nc1cc2c(cc1F)CC(Cl)C(=O)N2.
What is the InChIKey of 7-amino-3-chloro-6-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ADXRKIUHUSSZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN2O/c10-5-1-4-2-6(11)7(12)3-8(4)13-9(5)14/h2-3,5H,1,12H2,(H,13,14).
What are the key properties of 7-amino-3-chloro-6-fluoro-3,4-dihydro-1H-quinolin-2-one?
7-amino-3-chloro-6-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 214.63 g/mol, XLogP of 1.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-chloro-6-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 15091484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).