4-amino-1-(7-fluoro-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one

C14H19FN2O2 — CID 167922199

IUPAC4-amino-1-(7-fluoro-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
SMILESCOc1cc2c(cc1F)N(C(=O)CCCN)CCC2
InChIInChI=1S/C14H19FN2O2/c1-19-13-8-10-4-3-7-17(12(10)9-11(13)15)14(18)5-2-6-16/h8-9H,2-7,16H2,1H3
InChIKeyGVIJBYUDQHMIQC-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.85
Rot. Bonds4

About 4-amino-1-(7-fluoro-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one

4-amino-1-(7-fluoro-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one (PubChem CID 167922199) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-amino-1-(7-fluoro-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-1-(7-fluoro-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
PubChem CID167922199
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name4-amino-1-(7-fluoro-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
SMILESCOc1cc2c(cc1F)N(C(=O)CCCN)CCC2
InChIInChI=1S/C14H19FN2O2/c1-19-13-8-10-4-3-7-17(12(10)9-11(13)15)14(18)5-2-6-16/h8-9H,2-7,16H2,1H3
InChIKeyGVIJBYUDQHMIQC-UHFFFAOYSA-N
XLogP1.85
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one;hydrochloride
CID 119286836
7-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)heptan-1-one
CID 119783373
4-amino-1-(5-bromo-2,3-dihydroindol-1-yl)butan-1-one;hydrochloride
CID 119280353
5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 43580051
4-amino-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butan-1-one;hydrochloride
CID 119294298
1-[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
CID 82260070
2-(4-bromo-2-fluorophenoxy)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 43066673
(6,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-fluoroethyl)phenyl]methanone
CID 167911977
1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-4-(methylamino)butan-1-one;hydrochloride
CID 119718833
7-amino-1-(5-bromo-2,3-dihydroindol-1-yl)heptan-1-one;hydrochloride
CID 119706831
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-1-one
CID 55091829
2-(4-bromo-2-fluorophenoxy)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 55661300

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(7-fluoro-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The IUPAC name of 4-amino-1-(7-fluoro-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one (CID 167922199) is 4-amino-1-(7-fluoro-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one.
What is the SMILES notation for 4-amino-1-(7-fluoro-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The canonical SMILES for 4-amino-1-(7-fluoro-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one is COc1cc2c(cc1F)N(C(=O)CCCN)CCC2.
What is the InChIKey of 4-amino-1-(7-fluoro-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The InChIKey is GVIJBYUDQHMIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-19-13-8-10-4-3-7-17(12(10)9-11(13)15)14(18)5-2-6-16/h8-9H,2-7,16H2,1H3.
What are the key properties of 4-amino-1-(7-fluoro-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
4-amino-1-(7-fluoro-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one has a molecular weight of 266.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(7-fluoro-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one is sourced from PubChem (CID 167922199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).