ethyl 2-methyl-2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]butanoate

C24H27NO4 — CID 67826098

IUPACethyl 2-methyl-2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]butanoate
SMILESCCOC(=O)C(C)(CC)c1cccc(OCc2ccc3c(ccc(=O)n3C)c2)c1
InChIInChI=1S/C24H27NO4/c1-5-24(3,23(27)28-6-2)19-8-7-9-20(15-19)29-16-17-10-12-21-18(14-17)11-13-22(26)25(21)4/h7-15H,5-6,16H2,1-4H3
InChIKeyMATIXHKRQNCGPK-UHFFFAOYSA-N
MW393.48 g/mol
LogP4.35
Rot. Bonds7

About ethyl 2-methyl-2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]butanoate

ethyl 2-methyl-2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]butanoate (PubChem CID 67826098) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is ethyl 2-methyl-2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]butanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]butanoate
PubChem CID67826098
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Nameethyl 2-methyl-2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]butanoate
SMILESCCOC(=O)C(C)(CC)c1cccc(OCc2ccc3c(ccc(=O)n3C)c2)c1
InChIInChI=1S/C24H27NO4/c1-5-24(3,23(27)28-6-2)19-8-7-9-20(15-19)29-16-17-10-12-21-18(14-17)11-13-22(26)25(21)4/h7-15H,5-6,16H2,1-4H3
InChIKeyMATIXHKRQNCGPK-UHFFFAOYSA-N
XLogP4.35
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-methyl-2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]butanoate with MolForge

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Related Compounds

2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]acetonitrile
CID 57153655
ethyl 2-(3-hydroxyphenyl)-2-methylbutanoate
CID 19091445
6-[[3-(4-ethyloxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one
CID 10022483
3-[3-(naphthalen-2-ylmethoxy)phenyl]pentan-3-ol
CID 22406587
methyl (2R)-2,4-dimethyl-2-(3-phenylmethoxyphenyl)pent-4-enoate
CID 129390639
ethyl 2-(3-ethoxyphenyl)-2-phenylpropanoate
CID 140570358
(2R)-2-amino-2-(3-phenylmethoxyphenyl)propanoic acid
CID 7345316
6-[[3-(cyclobutadienyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]oxymethyl]-1-methylquinolin-2-one
CID 68511917
3-[3-(naphthalen-2-ylmethoxy)phenyl]butane-1,3-diol
CID 19761524
ethyl 2-methyl-2-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propanoate
CID 23525929
ethyl 2-methyl-2-(3-methylphenyl)-3-phenylpropanoate
CID 57419846
ethyl (2R)-3-fluoro-2-methyl-2-naphthalen-2-ylpropanoate
CID 155818749

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]butanoate?
The IUPAC name of ethyl 2-methyl-2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]butanoate (CID 67826098) is ethyl 2-methyl-2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]butanoate.
What is the SMILES notation for ethyl 2-methyl-2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]butanoate?
The canonical SMILES for ethyl 2-methyl-2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]butanoate is CCOC(=O)C(C)(CC)c1cccc(OCc2ccc3c(ccc(=O)n3C)c2)c1.
What is the InChIKey of ethyl 2-methyl-2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]butanoate?
The InChIKey is MATIXHKRQNCGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-5-24(3,23(27)28-6-2)19-8-7-9-20(15-19)29-16-17-10-12-21-18(14-17)11-13-22(26)25(21)4/h7-15H,5-6,16H2,1-4H3.
What are the key properties of ethyl 2-methyl-2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]butanoate?
ethyl 2-methyl-2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]butanoate has a molecular weight of 393.48 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]butanoate is sourced from PubChem (CID 67826098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).