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

C19H17N3O4 — CID 4783201

IUPAC[2-(benzylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESO=C(COC(=O)Cn1cnc2ccccc2c1=O)NCc1ccccc1
InChIInChI=1S/C19H17N3O4/c23-17(20-10-14-6-2-1-3-7-14)12-26-18(24)11-22-13-21-16-9-5-4-8-15(16)19(22)25/h1-9,13H,10-12H2,(H,20,23)
InChIKeyIZNAPFAQXOOOQO-UHFFFAOYSA-N
MW351.36 g/mol
LogP1.26
Rot. Bonds6

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

[2-(benzylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate (PubChem CID 4783201) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
PubChem CID4783201
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name[2-(benzylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESO=C(COC(=O)Cn1cnc2ccccc2c1=O)NCc1ccccc1
InChIInChI=1S/C19H17N3O4/c23-17(20-10-14-6-2-1-3-7-14)12-26-18(24)11-22-13-21-16-9-5-4-8-15(16)19(22)25/h1-9,13H,10-12H2,(H,20,23)
InChIKeyIZNAPFAQXOOOQO-UHFFFAOYSA-N
XLogP1.26
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate (CID 4783201) is [2-(benzylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate is O=C(COC(=O)Cn1cnc2ccccc2c1=O)NCc1ccccc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The InChIKey is IZNAPFAQXOOOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c23-17(20-10-14-6-2-1-3-7-14)12-26-18(24)11-22-13-21-16-9-5-4-8-15(16)19(22)25/h1-9,13H,10-12H2,(H,20,23).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
[2-(benzylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate has a molecular weight of 351.36 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 4783201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).