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

C15H13ClFN3O — CID 61466760

IUPAC7-amino-6-(4-chloro-3-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1Nc1ccc(Cl)c(F)c1)CCC(=O)N2
InChIInChI=1S/C15H13ClFN3O/c16-10-3-2-9(6-11(10)17)19-14-5-8-1-4-15(21)20-13(8)7-12(14)18/h2-3,5-7,19H,1,4,18H2,(H,20,21)
InChIKeyIUCBZUFCMMYRRL-UHFFFAOYSA-N
MW305.74 g/mol
LogP3.69
Rot. Bonds2

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

7-amino-6-(4-chloro-3-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 61466760) has the molecular formula C15H13ClFN3O and a molecular weight of 305.74 g/mol. Its IUPAC name is 7-amino-6-(4-chloro-3-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-(4-chloro-3-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one
PubChem CID61466760
Molecular FormulaC15H13ClFN3O
Molecular Weight305.74 g/mol
Exact Mass305.07
IUPAC Name7-amino-6-(4-chloro-3-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1Nc1ccc(Cl)c(F)c1)CCC(=O)N2
InChIInChI=1S/C15H13ClFN3O/c16-10-3-2-9(6-11(10)17)19-14-5-8-1-4-15(21)20-13(8)7-12(14)18/h2-3,5-7,19H,1,4,18H2,(H,20,21)
InChIKeyIUCBZUFCMMYRRL-UHFFFAOYSA-N
XLogP3.69
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-amino-6-(4-chloro-3-fluoroanilino)-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

Related Compounds

6-amino-7-(2-chloro-5-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one
CID 107526799
6-amino-7-(5-chloro-2-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one
CID 43455637
4-[(7-amino-2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]benzonitrile
CID 43449875
4-chloro-1-N-(4-chloro-3-fluorophenyl)-5-fluorobenzene-1,2-diamine
CID 66077226
6-amino-7-(2,3-difluoroanilino)-3,4-dihydro-1H-quinolin-2-one
CID 61075174
6-amino-7-(5-bromo-2-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one
CID 43555546
7-amino-6-[(1-methylpyrazol-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 79771091
5-amino-6-(4-fluoro-3-methylanilino)-1,3-dihydroindol-2-one
CID 62809830
1-N-(4-chloro-3-fluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590102
5-amino-6-(4-fluoroanilino)-1,3-dihydroindol-2-one
CID 43451771
7-amino-6-(5-bromo-2-methylanilino)-3,4-dihydro-1H-quinolin-2-one
CID 43805901
5-amino-6-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one
CID 43451855

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(4-chloro-3-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-(4-chloro-3-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one (CID 61466760) is 7-amino-6-(4-chloro-3-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-(4-chloro-3-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-(4-chloro-3-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one is Nc1cc2c(cc1Nc1ccc(Cl)c(F)c1)CCC(=O)N2.
What is the InChIKey of 7-amino-6-(4-chloro-3-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is IUCBZUFCMMYRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O/c16-10-3-2-9(6-11(10)17)19-14-5-8-1-4-15(21)20-13(8)7-12(14)18/h2-3,5-7,19H,1,4,18H2,(H,20,21).
What are the key properties of 7-amino-6-(4-chloro-3-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one?
7-amino-6-(4-chloro-3-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 305.74 g/mol, XLogP of 3.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(4-chloro-3-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 61466760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).