1-[2-(4-aminophenyl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one

C17H17FN2O — CID 43519642

IUPAC1-[2-(4-aminophenyl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one
SMILESNc1ccc(CCN2C(=O)CCc3cc(F)ccc32)cc1
InChIInChI=1S/C17H17FN2O/c18-14-4-7-16-13(11-14)3-8-17(21)20(16)10-9-12-1-5-15(19)6-2-12/h1-2,4-7,11H,3,8-10,19H2
InChIKeyGEOJTIKPRXQCCV-UHFFFAOYSA-N
MW284.33 g/mol
LogP2.93
Rot. Bonds3

About 1-[2-(4-aminophenyl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one

1-[2-(4-aminophenyl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one (PubChem CID 43519642) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-[2-(4-aminophenyl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[2-(4-aminophenyl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one
PubChem CID43519642
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name1-[2-(4-aminophenyl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one
SMILESNc1ccc(CCN2C(=O)CCc3cc(F)ccc32)cc1
InChIInChI=1S/C17H17FN2O/c18-14-4-7-16-13(11-14)3-8-17(21)20(16)10-9-12-1-5-15(19)6-2-12/h1-2,4-7,11H,3,8-10,19H2
InChIKeyGEOJTIKPRXQCCV-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-aminopyrazol-1-yl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one
CID 63316195
1-[2-(4-aminophenyl)ethyl]azepane-2,7-dione
CID 43519640
6-amino-1-(2-sulfanylethyl)-3,4-dihydroquinolin-2-one
CID 115223654
6-fluoro-1-(2-hydroxy-3-methylbutyl)-3,4-dihydroquinolin-2-one
CID 114249768
6-fluoro-1-(2-piperidin-2-ylethyl)-3,4-dihydroquinolin-2-one
CID 61345345
4-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)butanenitrile
CID 43446567
1-[[1-(bromomethyl)cyclobutyl]methyl]-6-fluoro-3,4-dihydroquinolin-2-one
CID 65007723
6-amino-1-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydroquinolin-2-one
CID 116615835
1-[(4-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
CID 79785399
6-amino-1-[(2,6-difluorophenyl)methyl]-3,4-dihydroquinolin-2-one
CID 114930164
6-amino-1-[3-(dimethylamino)propyl]-3,4-dihydroquinolin-2-one
CID 53392260
ethyl 4-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-3-oxobutanoate
CID 63899076

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminophenyl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[2-(4-aminophenyl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one (CID 43519642) is 1-[2-(4-aminophenyl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[2-(4-aminophenyl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[2-(4-aminophenyl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one is Nc1ccc(CCN2C(=O)CCc3cc(F)ccc32)cc1.
What is the InChIKey of 1-[2-(4-aminophenyl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one?
The InChIKey is GEOJTIKPRXQCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-14-4-7-16-13(11-14)3-8-17(21)20(16)10-9-12-1-5-15(19)6-2-12/h1-2,4-7,11H,3,8-10,19H2.
What are the key properties of 1-[2-(4-aminophenyl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one?
1-[2-(4-aminophenyl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one has a molecular weight of 284.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminophenyl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 43519642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).