[1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate

C24H26N4O4 — CID 18269553

IUPAC[1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESCC(OC(=O)Cn1cnc2ccccc2c1=O)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C24H26N4O4/c1-17(23(30)26-18-9-11-19(12-10-18)27-13-5-2-6-14-27)32-22(29)15-28-16-25-21-8-4-3-7-20(21)24(28)31/h3-4,7-12,16-17H,2,5-6,13-15H2,1H3,(H,26,30)
InChIKeyNUUGRMOCXMOAQH-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.96
Rot. Bonds6

About [1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate

[1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate (PubChem CID 18269553) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is [1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name[1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
PubChem CID18269553
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name[1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESCC(OC(=O)Cn1cnc2ccccc2c1=O)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C24H26N4O4/c1-17(23(30)26-18-9-11-19(12-10-18)27-13-5-2-6-14-27)32-22(29)15-28-16-25-21-8-4-3-7-20(21)24(28)31/h3-4,7-12,16-17H,2,5-6,13-15H2,1H3,(H,26,30)
InChIKeyNUUGRMOCXMOAQH-UHFFFAOYSA-N
XLogP2.96
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-anilino-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995099
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995194
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7994832
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995179
2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42119047
[1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 55321089
[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995147
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995034
[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8783760
[1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-ethoxyacetate
CID 18286188
[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995064
(2R)-2-(benzimidazol-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 39059697

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate?
The IUPAC name of [1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate (CID 18269553) is [1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for [1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for [1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate is CC(OC(=O)Cn1cnc2ccccc2c1=O)C(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of [1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate?
The InChIKey is NUUGRMOCXMOAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-17(23(30)26-18-9-11-19(12-10-18)27-13-5-2-6-14-27)32-22(29)15-28-16-25-21-8-4-3-7-20(21)24(28)31/h3-4,7-12,16-17H,2,5-6,13-15H2,1H3,(H,26,30).
What are the key properties of [1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate?
[1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate has a molecular weight of 434.50 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 18269553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).