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

C15H13F2N3O — CID 61075174

IUPAC6-amino-7-(2,3-difluoroanilino)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1Nc1cccc(F)c1F)NC(=O)CC2
InChIInChI=1S/C15H13F2N3O/c16-9-2-1-3-11(15(9)17)19-13-7-12-8(6-10(13)18)4-5-14(21)20-12/h1-3,6-7,19H,4-5,18H2,(H,20,21)
InChIKeyFBPRJPAXJVFWHR-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.18
Rot. Bonds2

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

6-amino-7-(2,3-difluoroanilino)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 61075174) has the molecular formula C15H13F2N3O and a molecular weight of 289.29 g/mol. Its IUPAC name is 6-amino-7-(2,3-difluoroanilino)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-(2,3-difluoroanilino)-3,4-dihydro-1H-quinolin-2-one
PubChem CID61075174
Molecular FormulaC15H13F2N3O
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name6-amino-7-(2,3-difluoroanilino)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1Nc1cccc(F)c1F)NC(=O)CC2
InChIInChI=1S/C15H13F2N3O/c16-9-2-1-3-11(15(9)17)19-13-7-12-8(6-10(13)18)4-5-14(21)20-12/h1-3,6-7,19H,4-5,18H2,(H,20,21)
InChIKeyFBPRJPAXJVFWHR-UHFFFAOYSA-N
XLogP3.18
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.18
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
6-amino-7-(5-bromo-2-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one
CID 43555546
6-amino-7-(2-chloro-5-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one
CID 107526799
5-amino-6-(2,3,5-trifluoroanilino)-1,3-dihydroindol-2-one
CID 62808776
7-amino-6-(4-chloro-3-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one
CID 61466760
5-amino-6-(2,4,5-trifluoroanilino)-1,3-dihydroindol-2-one
CID 62814499
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
5-amino-6-(3,4,5-trifluoroanilino)-1,3-dihydroindol-2-one
CID 62809822
2-N-(2,3-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine
CID 114281232
4-[(7-amino-2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]benzonitrile
CID 43449875
7-amino-6-(3-chloro-2-fluoroanilino)-4H-1,4-benzoxazin-3-one
CID 43479311

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-(2,3-difluoroanilino)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-(2,3-difluoroanilino)-3,4-dihydro-1H-quinolin-2-one (CID 61075174) is 6-amino-7-(2,3-difluoroanilino)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-(2,3-difluoroanilino)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-(2,3-difluoroanilino)-3,4-dihydro-1H-quinolin-2-one is Nc1cc2c(cc1Nc1cccc(F)c1F)NC(=O)CC2.
What is the InChIKey of 6-amino-7-(2,3-difluoroanilino)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FBPRJPAXJVFWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O/c16-9-2-1-3-11(15(9)17)19-13-7-12-8(6-10(13)18)4-5-14(21)20-12/h1-3,6-7,19H,4-5,18H2,(H,20,21).
What are the key properties of 6-amino-7-(2,3-difluoroanilino)-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-(2,3-difluoroanilino)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 289.29 g/mol, XLogP of 3.18, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(2,3-difluoroanilino)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 61075174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).