[2-(2,6-diethylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate

C23H25N3O4 — CID 135401320

IUPAC[2-(2,6-diethylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C23H25N3O4/c1-3-15-8-7-9-16(4-2)22(15)26-20(27)14-30-21(28)13-12-19-24-18-11-6-5-10-17(18)23(29)25-19/h5-11H,3-4,12-14H2,1-2H3,(H,26,27)(H,24,25,29)
InChIKeyUEKPKOBSSUZICF-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.16
Rot. Bonds8

About [2-(2,6-diethylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate

[2-(2,6-diethylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate (PubChem CID 135401320) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is [2-(2,6-diethylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate.

Molecular Properties

Compound Name[2-(2,6-diethylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
PubChem CID135401320
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name[2-(2,6-diethylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C23H25N3O4/c1-3-15-8-7-9-16(4-2)22(15)26-20(27)14-30-21(28)13-12-19-24-18-11-6-5-10-17(18)23(29)25-19/h5-11H,3-4,12-14H2,1-2H3,(H,26,27)(H,24,25,29)
InChIKeyUEKPKOBSSUZICF-UHFFFAOYSA-N
XLogP3.16
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate (CID 135401320) is [2-(2,6-diethylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate.
What is the SMILES notation for [2-(2,6-diethylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The canonical SMILES for [2-(2,6-diethylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate is CCc1cccc(CC)c1NC(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of [2-(2,6-diethylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The InChIKey is UEKPKOBSSUZICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-3-15-8-7-9-16(4-2)22(15)26-20(27)14-30-21(28)13-12-19-24-18-11-6-5-10-17(18)23(29)25-19/h5-11H,3-4,12-14H2,1-2H3,(H,26,27)(H,24,25,29).
What are the key properties of [2-(2,6-diethylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
[2-(2,6-diethylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate has a molecular weight of 407.47 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-diethylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate is sourced from PubChem (CID 135401320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).