[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate

C22H23N3O4 — CID 33357986

IUPAC[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C22H23N3O4/c1-3-16-8-6-7-15(2)21(16)24-19(26)13-29-20(27)11-12-25-14-23-18-10-5-4-9-17(18)22(25)28/h4-10,14H,3,11-13H2,1-2H3,(H,24,26)
InChIKeyYFUDSBVWUVPFLH-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.84
Rot. Bonds7

About [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate (PubChem CID 33357986) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate.

Molecular Properties

Compound Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate
PubChem CID33357986
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C22H23N3O4/c1-3-16-8-6-7-15(2)21(16)24-19(26)13-29-20(27)11-12-25-14-23-18-10-5-4-9-17(18)22(25)28/h4-10,14H,3,11-13H2,1-2H3,(H,24,26)
InChIKeyYFUDSBVWUVPFLH-UHFFFAOYSA-N
XLogP2.84
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,6-dichloroanilino)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate
CID 33356940
(2-anilino-2-oxoethyl) 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
CID 33486113
[2-(2-ethylanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995489
ethyl 2-[[2-[3-(4-oxoquinazolin-3-yl)propanoyloxy]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 33357435
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate
CID 25295473
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
CID 33486199
[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate
CID 33358668
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 2395671
[2-oxo-2-(2-phenoxyanilino)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
CID 33486051
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825120
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 46792839
methyl 3-oxo-5-(4-oxoquinazolin-3-yl)pentanoate
CID 46949976

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate?
The IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate (CID 33357986) is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate.
What is the SMILES notation for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate?
The canonical SMILES for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate is CCc1cccc(C)c1NC(=O)COC(=O)CCn1cnc2ccccc2c1=O.
What is the InChIKey of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate?
The InChIKey is YFUDSBVWUVPFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-3-16-8-6-7-15(2)21(16)24-19(26)13-29-20(27)11-12-25-14-23-18-10-5-4-9-17(18)22(25)28/h4-10,14H,3,11-13H2,1-2H3,(H,24,26).
What are the key properties of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate?
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate has a molecular weight of 393.44 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate is sourced from PubChem (CID 33357986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).