[2-oxo-2-(2-phenoxyanilino)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate

C26H23N3O5 — CID 33486051

IUPAC[2-oxo-2-(2-phenoxyanilino)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
SMILESCc1cccc2c(=O)n(CCC(=O)OCC(=O)Nc3ccccc3Oc3ccccc3)cnc12
InChIInChI=1S/C26H23N3O5/c1-18-8-7-11-20-25(18)27-17-29(26(20)32)15-14-24(31)33-16-23(30)28-21-12-5-6-13-22(21)34-19-9-3-2-4-10-19/h2-13,17H,14-16H2,1H3,(H,28,30)
InChIKeyAILVSJBJOXRCQH-UHFFFAOYSA-N
MW457.49 g/mol
LogP4.07
Rot. Bonds8

About [2-oxo-2-(2-phenoxyanilino)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate

[2-oxo-2-(2-phenoxyanilino)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate (PubChem CID 33486051) has the molecular formula C26H23N3O5 and a molecular weight of 457.49 g/mol. Its IUPAC name is [2-oxo-2-(2-phenoxyanilino)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenoxyanilino)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
PubChem CID33486051
Molecular FormulaC26H23N3O5
Molecular Weight457.49 g/mol
Exact Mass457.16
IUPAC Name[2-oxo-2-(2-phenoxyanilino)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
SMILESCc1cccc2c(=O)n(CCC(=O)OCC(=O)Nc3ccccc3Oc3ccccc3)cnc12
InChIInChI=1S/C26H23N3O5/c1-18-8-7-11-20-25(18)27-17-29(26(20)32)15-14-24(31)33-16-23(30)28-21-12-5-6-13-22(21)34-19-9-3-2-4-10-19/h2-13,17H,14-16H2,1H3,(H,28,30)
InChIKeyAILVSJBJOXRCQH-UHFFFAOYSA-N
XLogP4.07
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-(2-phenoxyanilino)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate with MolForge

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Related Compounds

(2-anilino-2-oxoethyl) 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
CID 33486113
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
CID 33486199
N-(2-methoxyphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397655
N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 60524613
N-[2-(4-methylphenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 27147986
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 43049163
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-propoxyphenyl)acetamide
CID 27895346
[2-(2,5-diethoxyanilino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 42085540
N-(2,3-dichlorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27147913
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate
CID 33357986
3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 16595195
N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
CID 25326839

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenoxyanilino)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate?
The IUPAC name of [2-oxo-2-(2-phenoxyanilino)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate (CID 33486051) is [2-oxo-2-(2-phenoxyanilino)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate.
What is the SMILES notation for [2-oxo-2-(2-phenoxyanilino)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate?
The canonical SMILES for [2-oxo-2-(2-phenoxyanilino)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate is Cc1cccc2c(=O)n(CCC(=O)OCC(=O)Nc3ccccc3Oc3ccccc3)cnc12.
What is the InChIKey of [2-oxo-2-(2-phenoxyanilino)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate?
The InChIKey is AILVSJBJOXRCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O5/c1-18-8-7-11-20-25(18)27-17-29(26(20)32)15-14-24(31)33-16-23(30)28-21-12-5-6-13-22(21)34-19-9-3-2-4-10-19/h2-13,17H,14-16H2,1H3,(H,28,30).
What are the key properties of [2-oxo-2-(2-phenoxyanilino)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate?
[2-oxo-2-(2-phenoxyanilino)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate has a molecular weight of 457.49 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenoxyanilino)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate is sourced from PubChem (CID 33486051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).