[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate

C28H23N5O4 — CID 33358668

IUPAC[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate
SMILESO=C(COC(=O)CCn1cnc2ccccc2c1=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C28H23N5O4/c34-26(18-37-27(35)15-16-32-19-29-23-14-8-7-13-22(23)28(32)36)30-25-17-24(20-9-3-1-4-10-20)31-33(25)21-11-5-2-6-12-21/h1-14,17,19H,15-16,18H2,(H,30,34)
InChIKeyVJCXOOVUOAUGLE-UHFFFAOYSA-N
MW493.52 g/mol
LogP3.82
Rot. Bonds8

About [2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate

[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate (PubChem CID 33358668) has the molecular formula C28H23N5O4 and a molecular weight of 493.52 g/mol. Its IUPAC name is [2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate.

Molecular Properties

Compound Name[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate
PubChem CID33358668
Molecular FormulaC28H23N5O4
Molecular Weight493.52 g/mol
Exact Mass493.18
IUPAC Name[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate
SMILESO=C(COC(=O)CCn1cnc2ccccc2c1=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C28H23N5O4/c34-26(18-37-27(35)15-16-32-19-29-23-14-8-7-13-22(23)28(32)36)30-25-17-24(20-9-3-1-4-10-20)31-33(25)21-11-5-2-6-12-21/h1-14,17,19H,15-16,18H2,(H,30,34)
InChIKeyVJCXOOVUOAUGLE-UHFFFAOYSA-N
XLogP3.82
TPSA108.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 18279717
[2-(2,6-dichloroanilino)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate
CID 33356940
[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 55374030
[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 4783344
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate
CID 33357986
[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 4781966
2-O-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505614
methyl (2S)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-3-phenylpropanoate
CID 39723313
[2-oxo-2-[[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]amino]ethyl] butanoate
CID 7890368
N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 155916047
[2-oxo-2-(2-phenylanilino)ethyl] 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate
CID 46508156
(2-anilino-2-oxoethyl) 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
CID 33486113

Frequently Asked Questions

What is the IUPAC name of [2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate?
The IUPAC name of [2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate (CID 33358668) is [2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate.
What is the SMILES notation for [2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate?
The canonical SMILES for [2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate is O=C(COC(=O)CCn1cnc2ccccc2c1=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of [2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate?
The InChIKey is VJCXOOVUOAUGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O4/c34-26(18-37-27(35)15-16-32-19-29-23-14-8-7-13-22(23)28(32)36)30-25-17-24(20-9-3-1-4-10-20)31-33(25)21-11-5-2-6-12-21/h1-14,17,19H,15-16,18H2,(H,30,34).
What are the key properties of [2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate?
[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate has a molecular weight of 493.52 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate is sourced from PubChem (CID 33358668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).