[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate

C21H21N3O5 — CID 2454748

IUPAC[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESCOc1ccc(CCNC(=O)COC(=O)Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C21H21N3O5/c1-28-16-8-6-15(7-9-16)10-11-22-19(25)13-29-20(26)12-24-14-23-18-5-3-2-4-17(18)21(24)27/h2-9,14H,10-13H2,1H3,(H,22,25)
InChIKeyBTBYEPZTFGTAPP-UHFFFAOYSA-N
MW395.42 g/mol
LogP1.31
Rot. Bonds8

About [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate (PubChem CID 2454748) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
PubChem CID2454748
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESCOc1ccc(CCNC(=O)COC(=O)Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C21H21N3O5/c1-28-16-8-6-15(7-9-16)10-11-22-19(25)13-29-20(26)12-24-14-23-18-5-3-2-4-17(18)21(24)27/h2-9,14H,10-13H2,1H3,(H,22,25)
InChIKeyBTBYEPZTFGTAPP-UHFFFAOYSA-N
XLogP1.31
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[2-(Difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 2410671
3-[4-(4-ethoxyphenoxy)butyl]-4(3H)-quinazolinone
CID 2582718
Sodium {3-[2-(4-methoxyphenyl)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanide
CID 3773368
3-[2-(4-Ethoxyphenyl)-2-oxoethyl]quinazolin-4-one
CID 4809024
3-[2-[4-(Difluoromethoxy)phenyl]-2-oxoethyl]quinazolin-4-one
CID 7628255
T5567366
CID 7874936
2-amino-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 1991468
N~1~-(2-methoxybenzyl)-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
CID 3245794
[2-[5-(Dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 4844513
N-(2-Methoxy-5-methylphenyl)-3-[2-(4-oxo-3,4-dihydroquinazolin-3-YL)acetamido]propanamide
CID 15994104
Ethyl 4-{[3-({[(4-oxo-3,4-dihydroquinazolin-2-yl)carbonyl]amino}methyl)phenyl]oxy}butanoate
CID 135982354
4(3H)-Quinazolinone, 3-(2-((1,1'-biphenyl)-4-yloxy)ethyl)-
CID 64007

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The IUPAC name of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate (CID 2454748) is [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate is COc1ccc(CCNC(=O)COC(=O)Cn2cnc3ccccc3c2=O)cc1.
What is the InChIKey of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The InChIKey is BTBYEPZTFGTAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-28-16-8-6-15(7-9-16)10-11-22-19(25)13-29-20(26)12-24-14-23-18-5-3-2-4-17(18)21(24)27/h2-9,14H,10-13H2,1H3,(H,22,25).
What are the key properties of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate has a molecular weight of 395.42 g/mol, XLogP of 1.31, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 2454748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).