[2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate

C21H20N2O5 — CID 135782954

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
SMILESCOc1ccc(C(=O)COC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C21H20N2O5/c1-27-15-11-9-14(10-12-15)18(24)13-28-20(25)8-4-7-19-22-17-6-3-2-5-16(17)21(26)23-19/h2-3,5-6,9-12H,4,7-8,13H2,1H3,(H,22,23,26)
InChIKeyRJDLEUCSUQWNJP-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.68
Rot. Bonds8

About [2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate

[2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate (PubChem CID 135782954) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
PubChem CID135782954
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
SMILESCOc1ccc(C(=O)COC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C21H20N2O5/c1-27-15-11-9-14(10-12-15)18(24)13-28-20(25)8-4-7-19-22-17-6-3-2-5-16(17)21(26)23-19/h2-3,5-6,9-12H,4,7-8,13H2,1H3,(H,22,23,26)
InChIKeyRJDLEUCSUQWNJP-UHFFFAOYSA-N
XLogP2.68
TPSA98.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate (CID 135782954) is [2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate is COc1ccc(C(=O)COC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate?
The InChIKey is RJDLEUCSUQWNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-27-15-11-9-14(10-12-15)18(24)13-28-20(25)8-4-7-19-22-17-6-3-2-5-16(17)21(26)23-19/h2-3,5-6,9-12H,4,7-8,13H2,1H3,(H,22,23,26).
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate?
[2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate has a molecular weight of 380.40 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate is sourced from PubChem (CID 135782954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).