4-(1,1-difluoroethyl)-1-methyl-3-(5-methylnaphthalen-1-yl)quinolin-2-one;ethane

C25H25F2NO — CID 170588454

IUPAC4-(1,1-difluoroethyl)-1-methyl-3-(5-methylnaphthalen-1-yl)quinolin-2-one;ethane
SMILESCC.Cc1cccc2c(-c3c(C(C)(F)F)c4ccccc4n(C)c3=O)cccc12
InChIInChI=1S/C23H19F2NO.C2H6/c1-14-8-6-11-16-15(14)10-7-12-17(16)20-21(23(2,24)25)18-9-4-5-13-19(18)26(3)22(20)27;1-2/h4-13H,1-3H3;1-2H3
InChIKeyNMXZMAJPVUOSOV-UHFFFAOYSA-N
MW393.48 g/mol
LogP6.81
Rot. Bonds2

About 4-(1,1-difluoroethyl)-1-methyl-3-(5-methylnaphthalen-1-yl)quinolin-2-one;ethane

4-(1,1-difluoroethyl)-1-methyl-3-(5-methylnaphthalen-1-yl)quinolin-2-one;ethane (PubChem CID 170588454) has the molecular formula C25H25F2NO and a molecular weight of 393.48 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)-1-methyl-3-(5-methylnaphthalen-1-yl)quinolin-2-one;ethane.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)-1-methyl-3-(5-methylnaphthalen-1-yl)quinolin-2-one;ethane
PubChem CID170588454
Molecular FormulaC25H25F2NO
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name4-(1,1-difluoroethyl)-1-methyl-3-(5-methylnaphthalen-1-yl)quinolin-2-one;ethane
SMILESCC.Cc1cccc2c(-c3c(C(C)(F)F)c4ccccc4n(C)c3=O)cccc12
InChIInChI=1S/C23H19F2NO.C2H6/c1-14-8-6-11-16-15(14)10-7-12-17(16)20-21(23(2,24)25)18-9-4-5-13-19(18)26(3)22(20)27;1-2/h4-13H,1-3H3;1-2H3
InChIKeyNMXZMAJPVUOSOV-UHFFFAOYSA-N
XLogP6.81
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.48
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(2,2-dimethylpropanoylamino)acetate;1-methyl-3-(5-methylnaphthalen-1-yl)-4-(trifluoromethyl)quinolin-2-one
CID 170587752
6-[2-(dimethylamino)ethyl]-1-methyl-3-(5-methylnaphthalen-1-yl)-4-(trifluoromethyl)quinolin-2-one
CID 170588709
1-methyl-3-[(3-methyl-2-phosphanylphenyl)methyl]-4-(trifluoromethyl)quinolin-2-one
CID 177030400
1,5-dimethylquinolin-2-one
CID 19387899
ethane;4-hydroxy-1,3-dimethylquinolin-2-one
CID 91565927
4-(2,6-dimethylphenyl)-1-methylquinolin-2-one
CID 135055452
(2S)-2-[[2,6-difluoro-3-(3-methyl-2-pyridinyl)benzoyl]amino]-3-[5-[1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]naphthalen-1-yl]propanoic acid
CID 170587532
(2S)-2-[[4-(3,3-difluoroazetidin-1-yl)-2,6-difluorobenzoyl]amino]-3-[5-[1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]naphthalen-1-yl]propanoic acid
CID 177291902
tert-butyl 4-[[(2S)-1-methoxy-3-[5-[1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]naphthalen-1-yl]-1-oxopropan-2-yl]carbamoyl]-4-methylazepane-1-carboxylate
CID 177292291
ethane;1,2,4-trimethylindole
CID 91318944
4,4'-dimethyl-9,9'-spirobi[fluorene];ethane;9-methylcarbazole;1-methyl-2-phenylbenzene;toluene
CID 157466122
3-chloro-1,4-dimethylquinolin-2-one
CID 15643026

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)-1-methyl-3-(5-methylnaphthalen-1-yl)quinolin-2-one;ethane?
The IUPAC name of 4-(1,1-difluoroethyl)-1-methyl-3-(5-methylnaphthalen-1-yl)quinolin-2-one;ethane (CID 170588454) is 4-(1,1-difluoroethyl)-1-methyl-3-(5-methylnaphthalen-1-yl)quinolin-2-one;ethane.
What is the SMILES notation for 4-(1,1-difluoroethyl)-1-methyl-3-(5-methylnaphthalen-1-yl)quinolin-2-one;ethane?
The canonical SMILES for 4-(1,1-difluoroethyl)-1-methyl-3-(5-methylnaphthalen-1-yl)quinolin-2-one;ethane is CC.Cc1cccc2c(-c3c(C(C)(F)F)c4ccccc4n(C)c3=O)cccc12.
What is the InChIKey of 4-(1,1-difluoroethyl)-1-methyl-3-(5-methylnaphthalen-1-yl)quinolin-2-one;ethane?
The InChIKey is NMXZMAJPVUOSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2NO.C2H6/c1-14-8-6-11-16-15(14)10-7-12-17(16)20-21(23(2,24)25)18-9-4-5-13-19(18)26(3)22(20)27;1-2/h4-13H,1-3H3;1-2H3.
What are the key properties of 4-(1,1-difluoroethyl)-1-methyl-3-(5-methylnaphthalen-1-yl)quinolin-2-one;ethane?
4-(1,1-difluoroethyl)-1-methyl-3-(5-methylnaphthalen-1-yl)quinolin-2-one;ethane has a molecular weight of 393.48 g/mol, XLogP of 6.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)-1-methyl-3-(5-methylnaphthalen-1-yl)quinolin-2-one;ethane is sourced from PubChem (CID 170588454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).