1-(8-fluoro-2,2-dimethyl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one

C21H24FNO — CID 167559807

IUPAC1-(8-fluoro-2,2-dimethyl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one
SMILESCC1(C)CCc2cccc(F)c2N1C(=O)CCCc1ccccc1
InChIInChI=1S/C21H24FNO/c1-21(2)15-14-17-11-7-12-18(22)20(17)23(21)19(24)13-6-10-16-8-4-3-5-9-16/h3-5,7-9,11-12H,6,10,13-15H2,1-2H3
InChIKeyDMPHWMVTOMDKDE-UHFFFAOYSA-N
MW325.43 g/mol
LogP4.91
Rot. Bonds4

About 1-(8-fluoro-2,2-dimethyl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one

1-(8-fluoro-2,2-dimethyl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one (PubChem CID 167559807) has the molecular formula C21H24FNO and a molecular weight of 325.43 g/mol. Its IUPAC name is 1-(8-fluoro-2,2-dimethyl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-(8-fluoro-2,2-dimethyl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one
PubChem CID167559807
Molecular FormulaC21H24FNO
Molecular Weight325.43 g/mol
Exact Mass325.18
IUPAC Name1-(8-fluoro-2,2-dimethyl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one
SMILESCC1(C)CCc2cccc(F)c2N1C(=O)CCCc1ccccc1
InChIInChI=1S/C21H24FNO/c1-21(2)15-14-17-11-7-12-18(22)20(17)23(21)19(24)13-6-10-16-8-4-3-5-9-16/h3-5,7-9,11-12H,6,10,13-15H2,1-2H3
InChIKeyDMPHWMVTOMDKDE-UHFFFAOYSA-N
XLogP4.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(7-hydroxy-2,2-dimethyl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one
CID 167704570
1-(2,2-dimethyl-7-morpholin-4-yl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one
CID 167545122
1-[2,2-dimethyl-7-(1-methylpiperidin-4-yl)-3,4-dihydroquinolin-1-yl]-4-phenylbutan-1-one
CID 167675565
2,2-dimethyl-1-(4-phenylbutanoyl)-3H-quinolin-4-one
CID 167644306
4-phenyl-1-(2,2,4-trimethyl-3H-quinoxalin-1-yl)butan-1-one
CID 167573407
1-(3,3-dimethyl-2H-1,4-benzoxazin-4-yl)-4-phenylbutan-1-one
CID 167692170
2,2-dimethyl-1-(4-phenylbutanoyl)pyrrolidin-3-one
CID 115275193
5-phenylpentan-2-one
CID 16701
1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 1122148
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylbutan-1-one
CID 807657
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-phenylbutanamide
CID 90499010
4-phenylbutanoyl chloride
CID 11789865

Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoro-2,2-dimethyl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one?
The IUPAC name of 1-(8-fluoro-2,2-dimethyl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one (CID 167559807) is 1-(8-fluoro-2,2-dimethyl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one.
What is the SMILES notation for 1-(8-fluoro-2,2-dimethyl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one?
The canonical SMILES for 1-(8-fluoro-2,2-dimethyl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one is CC1(C)CCc2cccc(F)c2N1C(=O)CCCc1ccccc1.
What is the InChIKey of 1-(8-fluoro-2,2-dimethyl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one?
The InChIKey is DMPHWMVTOMDKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO/c1-21(2)15-14-17-11-7-12-18(22)20(17)23(21)19(24)13-6-10-16-8-4-3-5-9-16/h3-5,7-9,11-12H,6,10,13-15H2,1-2H3.
What are the key properties of 1-(8-fluoro-2,2-dimethyl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one?
1-(8-fluoro-2,2-dimethyl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one has a molecular weight of 325.43 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoro-2,2-dimethyl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one is sourced from PubChem (CID 167559807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).