5-amino-6,8-difluoro-1-(2-phenylethyl)-7-(3-pyridin-2-ylpropylamino)quinolin-4-one

C25H24F2N4O — CID 159583302

IUPAC5-amino-6,8-difluoro-1-(2-phenylethyl)-7-(3-pyridin-2-ylpropylamino)quinolin-4-one
SMILESNc1c(F)c(NCCCc2ccccn2)c(F)c2c1c(=O)ccn2CCc1ccccc1
InChIInChI=1S/C25H24F2N4O/c26-21-23(28)20-19(32)12-16-31(15-11-17-7-2-1-3-8-17)25(20)22(27)24(21)30-14-6-10-18-9-4-5-13-29-18/h1-5,7-9,12-13,16,30H,6,10-11,14-15,28H2
InChIKeyTUNRSKXMQCIHPF-UHFFFAOYSA-N
MW434.49 g/mol
LogP4.54
Rot. Bonds8

About 5-amino-6,8-difluoro-1-(2-phenylethyl)-7-(3-pyridin-2-ylpropylamino)quinolin-4-one

5-amino-6,8-difluoro-1-(2-phenylethyl)-7-(3-pyridin-2-ylpropylamino)quinolin-4-one (PubChem CID 159583302) has the molecular formula C25H24F2N4O and a molecular weight of 434.49 g/mol. Its IUPAC name is 5-amino-6,8-difluoro-1-(2-phenylethyl)-7-(3-pyridin-2-ylpropylamino)quinolin-4-one.

Molecular Properties

Compound Name5-amino-6,8-difluoro-1-(2-phenylethyl)-7-(3-pyridin-2-ylpropylamino)quinolin-4-one
PubChem CID159583302
Molecular FormulaC25H24F2N4O
Molecular Weight434.49 g/mol
Exact Mass434.19
IUPAC Name5-amino-6,8-difluoro-1-(2-phenylethyl)-7-(3-pyridin-2-ylpropylamino)quinolin-4-one
SMILESNc1c(F)c(NCCCc2ccccn2)c(F)c2c1c(=O)ccn2CCc1ccccc1
InChIInChI=1S/C25H24F2N4O/c26-21-23(28)20-19(32)12-16-31(15-11-17-7-2-1-3-8-17)25(20)22(27)24(21)30-14-6-10-18-9-4-5-13-29-18/h1-5,7-9,12-13,16,30H,6,10-11,14-15,28H2
InChIKeyTUNRSKXMQCIHPF-UHFFFAOYSA-N
XLogP4.54
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

5-amino-6,8-difluoro-1-(2-phenylethyl)-7-(3-propan-2-yloxypropylamino)quinolin-4-one
CID 24753940
5-amino-6,8-difluoro-1-(3-imidazol-1-ylpropyl)-4-oxo-7-(3-phenylpropylamino)quinoline-3-carboxylic acid
CID 24753944
6-amino-7-fluoro-4-oxo-8-(3-pyridin-2-ylpropylamino)spiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-12,1'-cyclobutane]-3-carboxylic acid
CID 58134707
3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-phenylpropylamino)-1-propan-2-ylquinolin-4-one;5-amino-1-cyclopentyl-6,8-difluoro-7-(3-pyridin-2-ylpropylamino)quinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-7-(3-imidazol-1-ylpropylamino)-8-methoxy-3-methylquinolin-4-one;5-amino-1-cyclopentyl-6-fluoro-8-methoxy-3-methyl-7-(3-phenylpropylamino)quinolin-4-one;5-amino-1-cyclopropyl-6-fluoro-7-(3-indol-1-ylpropylamino)-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 159028882
5-amino-6-fluoro-8-methoxy-4-oxo-7-(3-pyridin-2-ylpropylamino)-1H-quinoline-3-carboxylic acid
CID 161190568
6-amino-7-fluoro-4-oxo-8-(3-pyridin-2-ylpropylamino)spiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxylic acid
CID 25253983
5-amino-7-[2-(4-aminophenyl)ethylamino]-1-cyclopropyl-6,8-difluoroquinolin-4-one
CID 24753286
3-acetyl-5-amino-1-cyclopropyl-6-fluoro-8-methoxy-2-methyl-7-(3-pyridin-2-ylpropylamino)quinolin-4-one
CID 161436079
3-acetyl-5-amino-6-fluoro-8-methoxy-7-(3-pyridin-2-ylpropylamino)-1H-quinolin-4-one
CID 161436075
5-amino-1-cyclopropyl-6-ethyl-8-methoxy-7-(3-phenylpropylamino)quinolin-4-one
CID 163684076
2-(7-phenylheptyl)pyridine
CID 54510986
5-amino-1-cyclopentyl-6-fluoro-8-methoxy-7-[2-(pyridin-2-ylamino)ethylamino]quinolin-4-one
CID 59002903

Frequently Asked Questions

What is the IUPAC name of 5-amino-6,8-difluoro-1-(2-phenylethyl)-7-(3-pyridin-2-ylpropylamino)quinolin-4-one?
The IUPAC name of 5-amino-6,8-difluoro-1-(2-phenylethyl)-7-(3-pyridin-2-ylpropylamino)quinolin-4-one (CID 159583302) is 5-amino-6,8-difluoro-1-(2-phenylethyl)-7-(3-pyridin-2-ylpropylamino)quinolin-4-one.
What is the SMILES notation for 5-amino-6,8-difluoro-1-(2-phenylethyl)-7-(3-pyridin-2-ylpropylamino)quinolin-4-one?
The canonical SMILES for 5-amino-6,8-difluoro-1-(2-phenylethyl)-7-(3-pyridin-2-ylpropylamino)quinolin-4-one is Nc1c(F)c(NCCCc2ccccn2)c(F)c2c1c(=O)ccn2CCc1ccccc1.
What is the InChIKey of 5-amino-6,8-difluoro-1-(2-phenylethyl)-7-(3-pyridin-2-ylpropylamino)quinolin-4-one?
The InChIKey is TUNRSKXMQCIHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O/c26-21-23(28)20-19(32)12-16-31(15-11-17-7-2-1-3-8-17)25(20)22(27)24(21)30-14-6-10-18-9-4-5-13-29-18/h1-5,7-9,12-13,16,30H,6,10-11,14-15,28H2.
What are the key properties of 5-amino-6,8-difluoro-1-(2-phenylethyl)-7-(3-pyridin-2-ylpropylamino)quinolin-4-one?
5-amino-6,8-difluoro-1-(2-phenylethyl)-7-(3-pyridin-2-ylpropylamino)quinolin-4-one has a molecular weight of 434.49 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6,8-difluoro-1-(2-phenylethyl)-7-(3-pyridin-2-ylpropylamino)quinolin-4-one is sourced from PubChem (CID 159583302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).