(1S)-1-(4-ethoxy-3-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one

C22H21NO3 — CID 2234146

IUPAC(1S)-1-(4-ethoxy-3-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
SMILESCCOc1ccc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)cc1OC
InChIInChI=1S/C22H21NO3/c1-3-26-19-11-9-15(12-20(19)25-2)17-13-21(24)23-18-10-8-14-6-4-5-7-16(14)22(17)18/h4-12,17H,3,13H2,1-2H3,(H,23,24)/t17-/m0/s1
InChIKeyPKLJEOQSSSVFFF-KRWDZBQOSA-N
MW347.41 g/mol
LogP4.72
Rot. Bonds4

About (1S)-1-(4-ethoxy-3-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one

(1S)-1-(4-ethoxy-3-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one (PubChem CID 2234146) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is (1S)-1-(4-ethoxy-3-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one.

Molecular Properties

Compound Name(1S)-1-(4-ethoxy-3-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
PubChem CID2234146
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Name(1S)-1-(4-ethoxy-3-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
SMILESCCOc1ccc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)cc1OC
InChIInChI=1S/C22H21NO3/c1-3-26-19-11-9-15(12-20(19)25-2)17-13-21(24)23-18-10-8-14-6-4-5-7-16(14)22(17)18/h4-12,17H,3,13H2,1-2H3,(H,23,24)/t17-/m0/s1
InChIKeyPKLJEOQSSSVFFF-KRWDZBQOSA-N
XLogP4.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxy-4-prop-2-ynoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 19590580
2-[2-ethoxy-4-[(1R)-3-oxo-2,4-dihydro-1H-benzo[f]quinolin-1-yl]phenoxy]acetamide
CID 27279537
(1R)-1-(3-ethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2231068
(1S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 673087
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
(1R)-1-(5-bromo-2-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 1169303
1-(4-fluorophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2933284
(4S)-4-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 721560
2-[[5-cyano-4-(4-ethoxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 3142253
ethane;4-(5-ethoxy-2-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 143519859
1-(1,3-benzothiazol-2-yl)-4-(4-ethoxy-3-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135893145

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-ethoxy-3-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The IUPAC name of (1S)-1-(4-ethoxy-3-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one (CID 2234146) is (1S)-1-(4-ethoxy-3-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one.
What is the SMILES notation for (1S)-1-(4-ethoxy-3-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The canonical SMILES for (1S)-1-(4-ethoxy-3-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one is CCOc1ccc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)cc1OC.
What is the InChIKey of (1S)-1-(4-ethoxy-3-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The InChIKey is PKLJEOQSSSVFFF-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H21NO3/c1-3-26-19-11-9-15(12-20(19)25-2)17-13-21(24)23-18-10-8-14-6-4-5-7-16(14)22(17)18/h4-12,17H,3,13H2,1-2H3,(H,23,24)/t17-/m0/s1.
What are the key properties of (1S)-1-(4-ethoxy-3-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
(1S)-1-(4-ethoxy-3-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one has a molecular weight of 347.41 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-ethoxy-3-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one is sourced from PubChem (CID 2234146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).