ethyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate

C18H17N3O3 — CID 23762682

IUPACethyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate
SMILESCCOC(=O)C(C)n1c(-c2cccnc2)nc2ccccc2c1=O
InChIInChI=1S/C18H17N3O3/c1-3-24-18(23)12(2)21-16(13-7-6-10-19-11-13)20-15-9-5-4-8-14(15)17(21)22/h4-12H,3H2,1-2H3
InChIKeyZWEYFLIGIZBNOX-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.58
Rot. Bonds4

About ethyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate

ethyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate (PubChem CID 23762682) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is ethyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate
PubChem CID23762682
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Nameethyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate
SMILESCCOC(=O)C(C)n1c(-c2cccnc2)nc2ccccc2c1=O
InChIInChI=1S/C18H17N3O3/c1-3-24-18(23)12(2)21-16(13-7-6-10-19-11-13)20-15-9-5-4-8-14(15)17(21)22/h4-12H,3H2,1-2H3
InChIKeyZWEYFLIGIZBNOX-UHFFFAOYSA-N
XLogP2.58
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate?
The IUPAC name of ethyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate (CID 23762682) is ethyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate.
What is the SMILES notation for ethyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate?
The canonical SMILES for ethyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate is CCOC(=O)C(C)n1c(-c2cccnc2)nc2ccccc2c1=O.
What is the InChIKey of ethyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate?
The InChIKey is ZWEYFLIGIZBNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-3-24-18(23)12(2)21-16(13-7-6-10-19-11-13)20-15-9-5-4-8-14(15)17(21)22/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate?
ethyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate has a molecular weight of 323.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate is sourced from PubChem (CID 23762682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).