4-[2-(difluoromethyl)phenyl]-3,4-dihydro-1H-benzo[h]quinolin-2-one

C20H15F2NO — CID 143519900

IUPAC4-[2-(difluoromethyl)phenyl]-3,4-dihydro-1H-benzo[h]quinolin-2-one
SMILESO=C1CC(c2ccccc2C(F)F)c2ccc3ccccc3c2N1
InChIInChI=1S/C20H15F2NO/c21-20(22)16-8-4-3-7-14(16)17-11-18(24)23-19-13-6-2-1-5-12(13)9-10-15(17)19/h1-10,17,20H,11H2,(H,23,24)
InChIKeyFPPKWCIXJUIHCU-UHFFFAOYSA-N
MW323.34 g/mol
LogP5.25
Rot. Bonds2

About 4-[2-(difluoromethyl)phenyl]-3,4-dihydro-1H-benzo[h]quinolin-2-one

4-[2-(difluoromethyl)phenyl]-3,4-dihydro-1H-benzo[h]quinolin-2-one (PubChem CID 143519900) has the molecular formula C20H15F2NO and a molecular weight of 323.34 g/mol. Its IUPAC name is 4-[2-(difluoromethyl)phenyl]-3,4-dihydro-1H-benzo[h]quinolin-2-one.

Molecular Properties

Compound Name4-[2-(difluoromethyl)phenyl]-3,4-dihydro-1H-benzo[h]quinolin-2-one
PubChem CID143519900
Molecular FormulaC20H15F2NO
Molecular Weight323.34 g/mol
Exact Mass323.11
IUPAC Name4-[2-(difluoromethyl)phenyl]-3,4-dihydro-1H-benzo[h]quinolin-2-one
SMILESO=C1CC(c2ccccc2C(F)F)c2ccc3ccccc3c2N1
InChIInChI=1S/C20H15F2NO/c21-20(22)16-8-4-3-7-14(16)17-11-18(24)23-19-13-6-2-1-5-12(13)9-10-15(17)19/h1-10,17,20H,11H2,(H,23,24)
InChIKeyFPPKWCIXJUIHCU-UHFFFAOYSA-N
XLogP5.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.34
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-chloro-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 59140319
4-naphthalen-2-yl-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 2879509
(4S)-4-(4-phenylphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 1268646
4-(3-hydroxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 2992745
4-(3-iodophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 633987
4-(3-phenoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 3115454
ethane;4-(5-ethoxy-2-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 143519859
methyl 4-[(4S)-2-oxo-3,4-dihydro-1H-benzo[h]quinolin-4-yl]benzoate
CID 803008
(4R)-4-(6-nitro-1,3-benzodioxol-5-yl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 1351865
(4S)-4-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 721560
(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 1117589
[2,6-dimethoxy-4-[(4S)-2-oxo-3,4-dihydro-1H-benzo[h]quinolin-4-yl]phenyl] acetate
CID 1123360

Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethyl)phenyl]-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The IUPAC name of 4-[2-(difluoromethyl)phenyl]-3,4-dihydro-1H-benzo[h]quinolin-2-one (CID 143519900) is 4-[2-(difluoromethyl)phenyl]-3,4-dihydro-1H-benzo[h]quinolin-2-one.
What is the SMILES notation for 4-[2-(difluoromethyl)phenyl]-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The canonical SMILES for 4-[2-(difluoromethyl)phenyl]-3,4-dihydro-1H-benzo[h]quinolin-2-one is O=C1CC(c2ccccc2C(F)F)c2ccc3ccccc3c2N1.
What is the InChIKey of 4-[2-(difluoromethyl)phenyl]-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The InChIKey is FPPKWCIXJUIHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO/c21-20(22)16-8-4-3-7-14(16)17-11-18(24)23-19-13-6-2-1-5-12(13)9-10-15(17)19/h1-10,17,20H,11H2,(H,23,24).
What are the key properties of 4-[2-(difluoromethyl)phenyl]-3,4-dihydro-1H-benzo[h]quinolin-2-one?
4-[2-(difluoromethyl)phenyl]-3,4-dihydro-1H-benzo[h]quinolin-2-one has a molecular weight of 323.34 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethyl)phenyl]-3,4-dihydro-1H-benzo[h]quinolin-2-one is sourced from PubChem (CID 143519900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).