ethyl 4-(5,7-dimethoxy-2,2,4-trimethylquinolin-1-yl)butanoate

C20H29NO4 — CID 122595730

IUPACethyl 4-(5,7-dimethoxy-2,2,4-trimethylquinolin-1-yl)butanoate
SMILESCCOC(=O)CCCN1c2cc(OC)cc(OC)c2C(C)=CC1(C)C
InChIInChI=1S/C20H29NO4/c1-7-25-18(22)9-8-10-21-16-11-15(23-5)12-17(24-6)19(16)14(2)13-20(21,3)4/h11-13H,7-10H2,1-6H3
InChIKeyQBWGVOXZHBKVSY-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.05
Rot. Bonds7

About ethyl 4-(5,7-dimethoxy-2,2,4-trimethylquinolin-1-yl)butanoate

ethyl 4-(5,7-dimethoxy-2,2,4-trimethylquinolin-1-yl)butanoate (PubChem CID 122595730) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is ethyl 4-(5,7-dimethoxy-2,2,4-trimethylquinolin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(5,7-dimethoxy-2,2,4-trimethylquinolin-1-yl)butanoate
PubChem CID122595730
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC Nameethyl 4-(5,7-dimethoxy-2,2,4-trimethylquinolin-1-yl)butanoate
SMILESCCOC(=O)CCCN1c2cc(OC)cc(OC)c2C(C)=CC1(C)C
InChIInChI=1S/C20H29NO4/c1-7-25-18(22)9-8-10-21-16-11-15(23-5)12-17(24-6)19(16)14(2)13-20(21,3)4/h11-13H,7-10H2,1-6H3
InChIKeyQBWGVOXZHBKVSY-UHFFFAOYSA-N
XLogP4.05
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

sodium;[1-(4-ethoxy-4-oxobutyl)-7-methoxy-2,2-dimethylquinolin-4-yl]methanesulfonic acid;hydride
CID 173039296
ethyl 4-[7-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2,2,4-trimethylquinolin-1-yl]butanoate
CID 90327239
[methyl(4-oxobutanoyl)amino] 4-(6-amino-7-methoxy-2,2,4-trimethylquinolin-1-yl)butanoate
CID 167096829
ethyl 5-(3,5-dimethoxyphenyl)pentanoate
CID 66889380
ethyl 8-(2,4-dimethoxyphenyl)-8-oxooctanoate
CID 24727597
ethyl 4-(2-formyl-5-methoxyphenoxy)butanoate
CID 146282312
ethyl 4-(6-acetyloxy-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)butanoate
CID 174609126
ethyl 3-(2,4-dimethoxyanilino)propanoate
CID 23052898
ethyl 4-[(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate
CID 19182671
ethyl 4-[(10-methoxy-2,2,4-trimethyl-1-prop-2-enyl-5H-chromeno[3,4-f]quinolin-9-yl)oxy]butanoate
CID 90685528
ethyl 4-(5-methoxybenzotriazol-1-yl)butanoate
CID 155778318
ethyl 4-(2,3-dimethoxy-5-nitrophenoxy)butanoate
CID 59442402

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5,7-dimethoxy-2,2,4-trimethylquinolin-1-yl)butanoate?
The IUPAC name of ethyl 4-(5,7-dimethoxy-2,2,4-trimethylquinolin-1-yl)butanoate (CID 122595730) is ethyl 4-(5,7-dimethoxy-2,2,4-trimethylquinolin-1-yl)butanoate.
What is the SMILES notation for ethyl 4-(5,7-dimethoxy-2,2,4-trimethylquinolin-1-yl)butanoate?
The canonical SMILES for ethyl 4-(5,7-dimethoxy-2,2,4-trimethylquinolin-1-yl)butanoate is CCOC(=O)CCCN1c2cc(OC)cc(OC)c2C(C)=CC1(C)C.
What is the InChIKey of ethyl 4-(5,7-dimethoxy-2,2,4-trimethylquinolin-1-yl)butanoate?
The InChIKey is QBWGVOXZHBKVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-7-25-18(22)9-8-10-21-16-11-15(23-5)12-17(24-6)19(16)14(2)13-20(21,3)4/h11-13H,7-10H2,1-6H3.
What are the key properties of ethyl 4-(5,7-dimethoxy-2,2,4-trimethylquinolin-1-yl)butanoate?
ethyl 4-(5,7-dimethoxy-2,2,4-trimethylquinolin-1-yl)butanoate has a molecular weight of 347.46 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5,7-dimethoxy-2,2,4-trimethylquinolin-1-yl)butanoate is sourced from PubChem (CID 122595730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).