(2-anilino-2-oxoethyl) 3-(4-oxo-3H-quinazolin-2-yl)propanoate

C19H17N3O4 — CID 135811370

IUPAC(2-anilino-2-oxoethyl) 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESO=C(COC(=O)CCc1nc2ccccc2c(=O)[nH]1)Nc1ccccc1
InChIInChI=1S/C19H17N3O4/c23-17(20-13-6-2-1-3-7-13)12-26-18(24)11-10-16-21-15-9-5-4-8-14(15)19(25)22-16/h1-9H,10-12H2,(H,20,23)(H,21,22,25)
InChIKeyHBDOJYNJWUDSJQ-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.04
Rot. Bonds6

About (2-anilino-2-oxoethyl) 3-(4-oxo-3H-quinazolin-2-yl)propanoate

(2-anilino-2-oxoethyl) 3-(4-oxo-3H-quinazolin-2-yl)propanoate (PubChem CID 135811370) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 3-(4-oxo-3H-quinazolin-2-yl)propanoate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 3-(4-oxo-3H-quinazolin-2-yl)propanoate
PubChem CID135811370
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name(2-anilino-2-oxoethyl) 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESO=C(COC(=O)CCc1nc2ccccc2c(=O)[nH]1)Nc1ccccc1
InChIInChI=1S/C19H17N3O4/c23-17(20-13-6-2-1-3-7-13)12-26-18(24)11-10-16-21-15-9-5-4-8-14(15)19(25)22-16/h1-9H,10-12H2,(H,20,23)(H,21,22,25)
InChIKeyHBDOJYNJWUDSJQ-UHFFFAOYSA-N
XLogP2.04
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The IUPAC name of (2-anilino-2-oxoethyl) 3-(4-oxo-3H-quinazolin-2-yl)propanoate (CID 135811370) is (2-anilino-2-oxoethyl) 3-(4-oxo-3H-quinazolin-2-yl)propanoate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The canonical SMILES for (2-anilino-2-oxoethyl) 3-(4-oxo-3H-quinazolin-2-yl)propanoate is O=C(COC(=O)CCc1nc2ccccc2c(=O)[nH]1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The InChIKey is HBDOJYNJWUDSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c23-17(20-13-6-2-1-3-7-13)12-26-18(24)11-10-16-21-15-9-5-4-8-14(15)19(25)22-16/h1-9H,10-12H2,(H,20,23)(H,21,22,25).
What are the key properties of (2-anilino-2-oxoethyl) 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
(2-anilino-2-oxoethyl) 3-(4-oxo-3H-quinazolin-2-yl)propanoate has a molecular weight of 351.36 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 3-(4-oxo-3H-quinazolin-2-yl)propanoate is sourced from PubChem (CID 135811370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).