(1R)-1-(2,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one

C21H19NO3 — CID 801649

IUPAC(1R)-1-(2,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
SMILESCOc1ccc(OC)c([C@@H]2CC(=O)Nc3ccc4ccccc4c32)c1
InChIInChI=1S/C21H19NO3/c1-24-14-8-10-19(25-2)16(11-14)17-12-20(23)22-18-9-7-13-5-3-4-6-15(13)21(17)18/h3-11,17H,12H2,1-2H3,(H,22,23)/t17-/m0/s1
InChIKeyCYRIFYPZLCUVAU-KRWDZBQOSA-N
MW333.39 g/mol
LogP4.33
Rot. Bonds3

About (1R)-1-(2,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one

(1R)-1-(2,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one (PubChem CID 801649) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is (1R)-1-(2,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one.

Molecular Properties

Compound Name(1R)-1-(2,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
PubChem CID801649
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name(1R)-1-(2,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
SMILESCOc1ccc(OC)c([C@@H]2CC(=O)Nc3ccc4ccccc4c32)c1
InChIInChI=1S/C21H19NO3/c1-24-14-8-10-19(25-2)16(11-14)17-12-20(23)22-18-9-7-13-5-3-4-6-15(13)21(17)18/h3-11,17H,12H2,1-2H3,(H,22,23)/t17-/m0/s1
InChIKeyCYRIFYPZLCUVAU-KRWDZBQOSA-N
XLogP4.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 630483
(1R)-1-(5-bromo-2-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 1169303
(1S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 673087
(1S)-1-(4-ethoxy-3-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2234146
4-(2,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 3610231
ethane;4-(5-ethoxy-2-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 143519859
12-(2,5-dimethoxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one
CID 6488260
1-(3-methoxy-4-prop-2-ynoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 19590580
(1S)-1-(2,4-dichlorophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 673088
(1R)-1-(3-ethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2231068
(5S)-5-(2,5-dimethoxyphenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135622739
4-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one
CID 130007478

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The IUPAC name of (1R)-1-(2,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one (CID 801649) is (1R)-1-(2,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one.
What is the SMILES notation for (1R)-1-(2,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The canonical SMILES for (1R)-1-(2,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one is COc1ccc(OC)c([C@@H]2CC(=O)Nc3ccc4ccccc4c32)c1.
What is the InChIKey of (1R)-1-(2,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The InChIKey is CYRIFYPZLCUVAU-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H19NO3/c1-24-14-8-10-19(25-2)16(11-14)17-12-20(23)22-18-9-7-13-5-3-4-6-15(13)21(17)18/h3-11,17H,12H2,1-2H3,(H,22,23)/t17-/m0/s1.
What are the key properties of (1R)-1-(2,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
(1R)-1-(2,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one has a molecular weight of 333.39 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one is sourced from PubChem (CID 801649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).