(1R)-1-(3-ethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one

C21H19NO2 — CID 2231068

IUPAC(1R)-1-(3-ethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
SMILESCCOc1cccc([C@H]2CC(=O)Nc3ccc4ccccc4c32)c1
InChIInChI=1S/C21H19NO2/c1-2-24-16-8-5-7-15(12-16)18-13-20(23)22-19-11-10-14-6-3-4-9-17(14)21(18)19/h3-12,18H,2,13H2,1H3,(H,22,23)/t18-/m1/s1
InChIKeyCQURRCZJVVMUNR-GOSISDBHSA-N
MW317.39 g/mol
LogP4.71
Rot. Bonds3

About (1R)-1-(3-ethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one

(1R)-1-(3-ethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one (PubChem CID 2231068) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (1R)-1-(3-ethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one.

Molecular Properties

Compound Name(1R)-1-(3-ethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
PubChem CID2231068
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name(1R)-1-(3-ethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
SMILESCCOc1cccc([C@H]2CC(=O)Nc3ccc4ccccc4c32)c1
InChIInChI=1S/C21H19NO2/c1-2-24-16-8-5-7-15(12-16)18-13-20(23)22-19-11-10-14-6-3-4-9-17(14)21(18)19/h3-12,18H,2,13H2,1H3,(H,22,23)/t18-/m1/s1
InChIKeyCQURRCZJVVMUNR-GOSISDBHSA-N
XLogP4.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-ethoxy-3-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2234146
2-[2-ethoxy-4-[(1R)-3-oxo-2,4-dihydro-1H-benzo[f]quinolin-1-yl]phenoxy]acetamide
CID 27279537
1-(3-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2857782
1-(4-fluorophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2933284
1-(3-methoxy-4-prop-2-ynoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 19590580
(1S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 673087
4-(3-ethoxyphenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17064459
1-(2,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 630483
(1R)-1-(2,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 801649
4-(3-ethoxyphenyl)-5,5-dimethylpyrrolidin-2-one
CID 66107639
4-(3-phenoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 3115454
4-(3-ethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 2997436

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-ethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The IUPAC name of (1R)-1-(3-ethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one (CID 2231068) is (1R)-1-(3-ethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one.
What is the SMILES notation for (1R)-1-(3-ethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The canonical SMILES for (1R)-1-(3-ethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one is CCOc1cccc([C@H]2CC(=O)Nc3ccc4ccccc4c32)c1.
What is the InChIKey of (1R)-1-(3-ethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The InChIKey is CQURRCZJVVMUNR-GOSISDBHSA-N. The full InChI is InChI=1S/C21H19NO2/c1-2-24-16-8-5-7-15(12-16)18-13-20(23)22-19-11-10-14-6-3-4-9-17(14)21(18)19/h3-12,18H,2,13H2,1H3,(H,22,23)/t18-/m1/s1.
What are the key properties of (1R)-1-(3-ethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
(1R)-1-(3-ethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one has a molecular weight of 317.39 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-ethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one is sourced from PubChem (CID 2231068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).