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

C25H19NO2 — CID 3115454

IUPAC4-(3-phenoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
SMILESO=C1CC(c2cccc(Oc3ccccc3)c2)c2ccc3ccccc3c2N1
InChIInChI=1S/C25H19NO2/c27-24-16-23(22-14-13-17-7-4-5-12-21(17)25(22)26-24)18-8-6-11-20(15-18)28-19-9-2-1-3-10-19/h1-15,23H,16H2,(H,26,27)
InChIKeyGUMMGLSSSZZSHJ-UHFFFAOYSA-N
MW365.43 g/mol
LogP6.11
Rot. Bonds3

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

4-(3-phenoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one (PubChem CID 3115454) has the molecular formula C25H19NO2 and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-(3-phenoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one.

Molecular Properties

Compound Name4-(3-phenoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
PubChem CID3115454
Molecular FormulaC25H19NO2
Molecular Weight365.43 g/mol
Exact Mass365.14
IUPAC Name4-(3-phenoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
SMILESO=C1CC(c2cccc(Oc3ccccc3)c2)c2ccc3ccccc3c2N1
InChIInChI=1S/C25H19NO2/c27-24-16-23(22-14-13-17-7-4-5-12-21(17)25(22)26-24)18-8-6-11-20(15-18)28-19-9-2-1-3-10-19/h1-15,23H,16H2,(H,26,27)
InChIKeyGUMMGLSSSZZSHJ-UHFFFAOYSA-N
XLogP6.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.43
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-naphthalen-2-yl-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 2879509
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
(4S)-4-(4-phenylphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 1268646
(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
methyl 4-[(4S)-2-oxo-3,4-dihydro-1H-benzo[h]quinolin-4-yl]benzoate
CID 803008
[2,6-dimethoxy-4-[(4S)-2-oxo-3,4-dihydro-1H-benzo[h]quinolin-4-yl]phenyl] acetate
CID 1123360
4-(3-chloro-4-hydroxy-5-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 2882925
(1R)-1-(3-ethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2231068
4-[2-(difluoromethyl)phenyl]-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 143519900
4-(3-chloro-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 59140319

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The IUPAC name of 4-(3-phenoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one (CID 3115454) is 4-(3-phenoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one.
What is the SMILES notation for 4-(3-phenoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The canonical SMILES for 4-(3-phenoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one is O=C1CC(c2cccc(Oc3ccccc3)c2)c2ccc3ccccc3c2N1.
What is the InChIKey of 4-(3-phenoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The InChIKey is GUMMGLSSSZZSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO2/c27-24-16-23(22-14-13-17-7-4-5-12-21(17)25(22)26-24)18-8-6-11-20(15-18)28-19-9-2-1-3-10-19/h1-15,23H,16H2,(H,26,27).
What are the key properties of 4-(3-phenoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
4-(3-phenoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one has a molecular weight of 365.43 g/mol, XLogP of 6.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one is sourced from PubChem (CID 3115454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).