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

C21H19NO4 — CID 673087

IUPAC(1S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
SMILESCOc1cc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)cc(OC)c1O
InChIInChI=1S/C21H19NO4/c1-25-17-9-13(10-18(26-2)21(17)24)15-11-19(23)22-16-8-7-12-5-3-4-6-14(12)20(15)16/h3-10,15,24H,11H2,1-2H3,(H,22,23)/t15-/m0/s1
InChIKeyVHBVZDCCHLNMTN-HNNXBMFYSA-N
MW349.39 g/mol
LogP4.04
Rot. Bonds3

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

(1S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one (PubChem CID 673087) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is (1S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one.

Molecular Properties

Compound Name(1S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
PubChem CID673087
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name(1S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
SMILESCOc1cc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)cc(OC)c1O
InChIInChI=1S/C21H19NO4/c1-25-17-9-13(10-18(26-2)21(17)24)15-11-19(23)22-16-8-7-12-5-3-4-6-14(12)20(15)16/h3-10,15,24H,11H2,1-2H3,(H,22,23)/t15-/m0/s1
InChIKeyVHBVZDCCHLNMTN-HNNXBMFYSA-N
XLogP4.04
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one with MolForge

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Related Compounds

(1S)-1-(4-ethoxy-3-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2234146
4-(3-chloro-4-hydroxy-5-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 2882925
1-(3-methoxy-4-prop-2-ynoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 19590580
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
(1R)-1-(3-ethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2231068
2-[2-ethoxy-4-[(1R)-3-oxo-2,4-dihydro-1H-benzo[f]quinolin-1-yl]phenoxy]acetamide
CID 27279537
(9R)-9-(3,4-dihydroxy-5-methoxyphenyl)-8,9-dihydro-6H-[1,2,5]thiadiazolo[3,4-f]quinolin-7-one
CID 136699388
[2,6-dimethoxy-4-[(4S)-2-oxo-3,4-dihydro-1H-benzo[h]quinolin-4-yl]phenyl] acetate
CID 1123360
1-(3-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2857782

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The IUPAC name of (1S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one (CID 673087) is (1S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one.
What is the SMILES notation for (1S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The canonical SMILES for (1S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one is COc1cc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)cc(OC)c1O.
What is the InChIKey of (1S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The InChIKey is VHBVZDCCHLNMTN-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H19NO4/c1-25-17-9-13(10-18(26-2)21(17)24)15-11-19(23)22-16-8-7-12-5-3-4-6-14(12)20(15)16/h3-10,15,24H,11H2,1-2H3,(H,22,23)/t15-/m0/s1.
What are the key properties of (1S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
(1S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one has a molecular weight of 349.39 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one is sourced from PubChem (CID 673087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).