ethane;4-(5-ethoxy-2-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one

C24H27NO3 — CID 143519859

IUPACethane;4-(5-ethoxy-2-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
SMILESCC.CCOc1ccc(OC)c(C2CC(=O)Nc3c2ccc2ccccc32)c1
InChIInChI=1S/C22H21NO3.C2H6/c1-3-26-15-9-11-20(25-2)19(12-15)18-13-21(24)23-22-16-7-5-4-6-14(16)8-10-17(18)22;1-2/h4-12,18H,3,13H2,1-2H3,(H,23,24);1-2H3
InChIKeyOQAYHGNEGKANAO-UHFFFAOYSA-N
MW377.48 g/mol
LogP5.75
Rot. Bonds4

About ethane;4-(5-ethoxy-2-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one

ethane;4-(5-ethoxy-2-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one (PubChem CID 143519859) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is ethane;4-(5-ethoxy-2-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one.

Molecular Properties

Compound Nameethane;4-(5-ethoxy-2-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
PubChem CID143519859
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Nameethane;4-(5-ethoxy-2-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
SMILESCC.CCOc1ccc(OC)c(C2CC(=O)Nc3c2ccc2ccccc32)c1
InChIInChI=1S/C22H21NO3.C2H6/c1-3-26-15-9-11-20(25-2)19(12-15)18-13-21(24)23-22-16-7-5-4-6-14(16)8-10-17(18)22;1-2/h4-12,18H,3,13H2,1-2H3,(H,23,24);1-2H3
InChIKeyOQAYHGNEGKANAO-UHFFFAOYSA-N
XLogP5.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;4-(5-ethoxy-2-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one with MolForge

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Related Compounds

(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 1117589
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
(4S)-4-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 721560
[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
4-naphthalen-2-yl-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 2879509
(1S)-1-(4-ethoxy-3-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2234146
(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-phenoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 3115454
(1R)-1-(5-bromo-2-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 1169303

Frequently Asked Questions

What is the IUPAC name of ethane;4-(5-ethoxy-2-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The IUPAC name of ethane;4-(5-ethoxy-2-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one (CID 143519859) is ethane;4-(5-ethoxy-2-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one.
What is the SMILES notation for ethane;4-(5-ethoxy-2-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The canonical SMILES for ethane;4-(5-ethoxy-2-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one is CC.CCOc1ccc(OC)c(C2CC(=O)Nc3c2ccc2ccccc32)c1.
What is the InChIKey of ethane;4-(5-ethoxy-2-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The InChIKey is OQAYHGNEGKANAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3.C2H6/c1-3-26-15-9-11-20(25-2)19(12-15)18-13-21(24)23-22-16-7-5-4-6-14(16)8-10-17(18)22;1-2/h4-12,18H,3,13H2,1-2H3,(H,23,24);1-2H3.
What are the key properties of ethane;4-(5-ethoxy-2-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
ethane;4-(5-ethoxy-2-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one has a molecular weight of 377.48 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(5-ethoxy-2-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one is sourced from PubChem (CID 143519859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).