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

C19H16ClN3O4 — CID 2490899

IUPAC[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESO=C(COC(=O)Cn1cnc2ccccc2c1=O)NCc1ccccc1Cl
InChIInChI=1S/C19H16ClN3O4/c20-15-7-3-1-5-13(15)9-21-17(24)11-27-18(25)10-23-12-22-16-8-4-2-6-14(16)19(23)26/h1-8,12H,9-11H2,(H,21,24)
InChIKeyKBJSSULGNOSPKU-UHFFFAOYSA-N
MW385.81 g/mol
LogP1.91
Rot. Bonds6

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

[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate (PubChem CID 2490899) has the molecular formula C19H16ClN3O4 and a molecular weight of 385.81 g/mol. Its IUPAC name is [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
PubChem CID2490899
Molecular FormulaC19H16ClN3O4
Molecular Weight385.81 g/mol
Exact Mass385.08
IUPAC Name[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESO=C(COC(=O)Cn1cnc2ccccc2c1=O)NCc1ccccc1Cl
InChIInChI=1S/C19H16ClN3O4/c20-15-7-3-1-5-13(15)9-21-17(24)11-27-18(25)10-23-12-22-16-8-4-2-6-14(16)19(23)26/h1-8,12H,9-11H2,(H,21,24)
InChIKeyKBJSSULGNOSPKU-UHFFFAOYSA-N
XLogP1.91
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate (CID 2490899) is [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate is O=C(COC(=O)Cn1cnc2ccccc2c1=O)NCc1ccccc1Cl.
What is the InChIKey of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The InChIKey is KBJSSULGNOSPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O4/c20-15-7-3-1-5-13(15)9-21-17(24)11-27-18(25)10-23-12-22-16-8-4-2-6-14(16)19(23)26/h1-8,12H,9-11H2,(H,21,24).
What are the key properties of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate has a molecular weight of 385.81 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 2490899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).