1-ethyl-7-(fluoromethyl)-3-methoxy-4-phenylquinolin-2-one

C19H18FNO2 — CID 142438232

IUPAC1-ethyl-7-(fluoromethyl)-3-methoxy-4-phenylquinolin-2-one
SMILESCCn1c(=O)c(OC)c(-c2ccccc2)c2ccc(CF)cc21
InChIInChI=1S/C19H18FNO2/c1-3-21-16-11-13(12-20)9-10-15(16)17(18(23-2)19(21)22)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3
InChIKeyKDMFRRBOPDOFDJ-UHFFFAOYSA-N
MW311.36 g/mol
LogP4.17
Rot. Bonds4

About 1-ethyl-7-(fluoromethyl)-3-methoxy-4-phenylquinolin-2-one

1-ethyl-7-(fluoromethyl)-3-methoxy-4-phenylquinolin-2-one (PubChem CID 142438232) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is 1-ethyl-7-(fluoromethyl)-3-methoxy-4-phenylquinolin-2-one.

Molecular Properties

Compound Name1-ethyl-7-(fluoromethyl)-3-methoxy-4-phenylquinolin-2-one
PubChem CID142438232
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name1-ethyl-7-(fluoromethyl)-3-methoxy-4-phenylquinolin-2-one
SMILESCCn1c(=O)c(OC)c(-c2ccccc2)c2ccc(CF)cc21
InChIInChI=1S/C19H18FNO2/c1-3-21-16-11-13(12-20)9-10-15(16)17(18(23-2)19(21)22)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3
InChIKeyKDMFRRBOPDOFDJ-UHFFFAOYSA-N
XLogP4.17
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
CID 142438213
3-methoxy-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]quinolin-2-one
CID 142438224
6-chloro-1-[(3,4-dichlorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
CID 142438165
1-[(2-iodophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
CID 142438185
1-[(4-bromophenyl)methyl]-4-(4-fluorophenyl)-3-methoxyquinolin-2-one
CID 142438230
1-ethyl-4,7-dihydroxy-3-phenylquinolin-2-one
CID 54716845
4-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-3-methoxyquinolin-2-one
CID 142438166
1-[(3-chlorophenyl)methyl]-3,6-dimethoxy-4-phenylquinolin-2-one
CID 142438199
4-chloro-1-ethyl-3-phenylquinolin-2-one
CID 139216417
1-[(3-chlorophenyl)methyl]-8-fluoro-3-methoxy-4-phenylquinolin-2-one
CID 142438240
9-ethyl-3-[4-[10-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-6-(4-phenylphenyl)carbazole;9-ethyl-3-[4-[4-[10-[4-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-6-(4-phenylphenyl)carbazole
CID 158925284
(1-ethyl-2-oxo-3-phenylquinolin-4-yl) dihydrogen phosphate
CID 139216427

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-(fluoromethyl)-3-methoxy-4-phenylquinolin-2-one?
The IUPAC name of 1-ethyl-7-(fluoromethyl)-3-methoxy-4-phenylquinolin-2-one (CID 142438232) is 1-ethyl-7-(fluoromethyl)-3-methoxy-4-phenylquinolin-2-one.
What is the SMILES notation for 1-ethyl-7-(fluoromethyl)-3-methoxy-4-phenylquinolin-2-one?
The canonical SMILES for 1-ethyl-7-(fluoromethyl)-3-methoxy-4-phenylquinolin-2-one is CCn1c(=O)c(OC)c(-c2ccccc2)c2ccc(CF)cc21.
What is the InChIKey of 1-ethyl-7-(fluoromethyl)-3-methoxy-4-phenylquinolin-2-one?
The InChIKey is KDMFRRBOPDOFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2/c1-3-21-16-11-13(12-20)9-10-15(16)17(18(23-2)19(21)22)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3.
What are the key properties of 1-ethyl-7-(fluoromethyl)-3-methoxy-4-phenylquinolin-2-one?
1-ethyl-7-(fluoromethyl)-3-methoxy-4-phenylquinolin-2-one has a molecular weight of 311.36 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-(fluoromethyl)-3-methoxy-4-phenylquinolin-2-one is sourced from PubChem (CID 142438232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).