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

C18H14ClN3O4 — CID 2490893

IUPAC[2-(4-chloroanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESO=C(COC(=O)Cn1cnc2ccccc2c1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H14ClN3O4/c19-12-5-7-13(8-6-12)21-16(23)10-26-17(24)9-22-11-20-15-4-2-1-3-14(15)18(22)25/h1-8,11H,9-10H2,(H,21,23)
InChIKeyUASZHDUPSYECMK-UHFFFAOYSA-N
MW371.78 g/mol
LogP2.23
Rot. Bonds5

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

[2-(4-chloroanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate (PubChem CID 2490893) has the molecular formula C18H14ClN3O4 and a molecular weight of 371.78 g/mol. Its IUPAC name is [2-(4-chloroanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name[2-(4-chloroanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
PubChem CID2490893
Molecular FormulaC18H14ClN3O4
Molecular Weight371.78 g/mol
Exact Mass371.07
IUPAC Name[2-(4-chloroanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESO=C(COC(=O)Cn1cnc2ccccc2c1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H14ClN3O4/c19-12-5-7-13(8-6-12)21-16(23)10-26-17(24)9-22-11-20-15-4-2-1-3-14(15)18(22)25/h1-8,11H,9-10H2,(H,21,23)
InChIKeyUASZHDUPSYECMK-UHFFFAOYSA-N
XLogP2.23
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.78
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chloroanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The IUPAC name of [2-(4-chloroanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate (CID 2490893) is [2-(4-chloroanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for [2-(4-chloroanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for [2-(4-chloroanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate is O=C(COC(=O)Cn1cnc2ccccc2c1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chloroanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The InChIKey is UASZHDUPSYECMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O4/c19-12-5-7-13(8-6-12)21-16(23)10-26-17(24)9-22-11-20-15-4-2-1-3-14(15)18(22)25/h1-8,11H,9-10H2,(H,21,23).
What are the key properties of [2-(4-chloroanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
[2-(4-chloroanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate has a molecular weight of 371.78 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloroanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 2490893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).