ethyl 2-[3,4-dimethyl-2-(quinolin-8-ylcarbamoyl)phenyl]acetate

C22H22N2O3 — CID 177421330

IUPACethyl 2-[3,4-dimethyl-2-(quinolin-8-ylcarbamoyl)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(C)c(C)c1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C22H22N2O3/c1-4-27-19(25)13-17-11-10-14(2)15(3)20(17)22(26)24-18-9-5-7-16-8-6-12-23-21(16)18/h5-12H,4,13H2,1-3H3,(H,24,26)
InChIKeyMQKPXMXWYGCKKM-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.21
Rot. Bonds5

About ethyl 2-[3,4-dimethyl-2-(quinolin-8-ylcarbamoyl)phenyl]acetate

ethyl 2-[3,4-dimethyl-2-(quinolin-8-ylcarbamoyl)phenyl]acetate (PubChem CID 177421330) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is ethyl 2-[3,4-dimethyl-2-(quinolin-8-ylcarbamoyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3,4-dimethyl-2-(quinolin-8-ylcarbamoyl)phenyl]acetate
PubChem CID177421330
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Nameethyl 2-[3,4-dimethyl-2-(quinolin-8-ylcarbamoyl)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(C)c(C)c1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C22H22N2O3/c1-4-27-19(25)13-17-11-10-14(2)15(3)20(17)22(26)24-18-9-5-7-16-8-6-12-23-21(16)18/h5-12H,4,13H2,1-3H3,(H,24,26)
InChIKeyMQKPXMXWYGCKKM-UHFFFAOYSA-N
XLogP4.21
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-quinolin-8-ylacetate
CID 52562898
2-methyl-N-quinolin-8-ylnaphthalene-1-carboxamide
CID 132837940
ethyl 2-oxo-2-(quinolin-8-ylamino)acetate
CID 10421911
3-fluoro-N-quinolin-8-yl-2,6-bis(2-triethylsilylethyl)benzamide
CID 177414845
3,4,5-triethoxy-N-quinolin-8-ylbenzamide
CID 1018003
ethyl 4-[3-oxo-3-(quinolin-8-ylamino)propanoyl]piperazine-1-carboxylate
CID 108950376
N-(2,3-dimethylphenyl)quinoline-8-carboxamide
CID 30267815
ethyl (3S)-3-phenyl-3-(quinolin-8-ylcarbamoylamino)propanoate
CID 95134563
ethyl (3R)-3-phenyl-3-(quinolin-8-ylcarbamoylamino)propanoate
CID 95288023
2-[(E)-pent-2-enyl]-N-quinolin-8-yl-6-(trifluoromethyl)benzamide
CID 132547082
2,4-dimethyl-6-oxo-N-quinolin-8-ylpyran-3-carboxamide
CID 110699363
2-methyl-6-(4-methyl-N-[3-methyl-2-(quinolin-8-ylcarbamoyl)phenyl]anilino)-N-quinolin-8-ylbenzamide
CID 175917421

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3,4-dimethyl-2-(quinolin-8-ylcarbamoyl)phenyl]acetate?
The IUPAC name of ethyl 2-[3,4-dimethyl-2-(quinolin-8-ylcarbamoyl)phenyl]acetate (CID 177421330) is ethyl 2-[3,4-dimethyl-2-(quinolin-8-ylcarbamoyl)phenyl]acetate.
What is the SMILES notation for ethyl 2-[3,4-dimethyl-2-(quinolin-8-ylcarbamoyl)phenyl]acetate?
The canonical SMILES for ethyl 2-[3,4-dimethyl-2-(quinolin-8-ylcarbamoyl)phenyl]acetate is CCOC(=O)Cc1ccc(C)c(C)c1C(=O)Nc1cccc2cccnc12.
What is the InChIKey of ethyl 2-[3,4-dimethyl-2-(quinolin-8-ylcarbamoyl)phenyl]acetate?
The InChIKey is MQKPXMXWYGCKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-4-27-19(25)13-17-11-10-14(2)15(3)20(17)22(26)24-18-9-5-7-16-8-6-12-23-21(16)18/h5-12H,4,13H2,1-3H3,(H,24,26).
What are the key properties of ethyl 2-[3,4-dimethyl-2-(quinolin-8-ylcarbamoyl)phenyl]acetate?
ethyl 2-[3,4-dimethyl-2-(quinolin-8-ylcarbamoyl)phenyl]acetate has a molecular weight of 362.43 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3,4-dimethyl-2-(quinolin-8-ylcarbamoyl)phenyl]acetate is sourced from PubChem (CID 177421330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).