propyl 2-(4-oxo-2-phenylquinazolin-3-yl)propanoate

C20H20N2O3 — CID 2790341

IUPACpropyl 2-(4-oxo-2-phenylquinazolin-3-yl)propanoate
SMILESCCCOC(=O)C(C)n1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C20H20N2O3/c1-3-13-25-20(24)14(2)22-18(15-9-5-4-6-10-15)21-17-12-8-7-11-16(17)19(22)23/h4-12,14H,3,13H2,1-2H3
InChIKeyOTXMWVCFKBNCNR-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.58
Rot. Bonds5

About propyl 2-(4-oxo-2-phenylquinazolin-3-yl)propanoate

propyl 2-(4-oxo-2-phenylquinazolin-3-yl)propanoate (PubChem CID 2790341) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is propyl 2-(4-oxo-2-phenylquinazolin-3-yl)propanoate.

Molecular Properties

Compound Namepropyl 2-(4-oxo-2-phenylquinazolin-3-yl)propanoate
PubChem CID2790341
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Namepropyl 2-(4-oxo-2-phenylquinazolin-3-yl)propanoate
SMILESCCCOC(=O)C(C)n1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C20H20N2O3/c1-3-13-25-20(24)14(2)22-18(15-9-5-4-6-10-15)21-17-12-8-7-11-16(17)19(22)23/h4-12,14H,3,13H2,1-2H3
InChIKeyOTXMWVCFKBNCNR-UHFFFAOYSA-N
XLogP3.58
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propyl 2-(4-oxo-2-phenylquinazolin-3-yl)propanoate?
The IUPAC name of propyl 2-(4-oxo-2-phenylquinazolin-3-yl)propanoate (CID 2790341) is propyl 2-(4-oxo-2-phenylquinazolin-3-yl)propanoate.
What is the SMILES notation for propyl 2-(4-oxo-2-phenylquinazolin-3-yl)propanoate?
The canonical SMILES for propyl 2-(4-oxo-2-phenylquinazolin-3-yl)propanoate is CCCOC(=O)C(C)n1c(-c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of propyl 2-(4-oxo-2-phenylquinazolin-3-yl)propanoate?
The InChIKey is OTXMWVCFKBNCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-13-25-20(24)14(2)22-18(15-9-5-4-6-10-15)21-17-12-8-7-11-16(17)19(22)23/h4-12,14H,3,13H2,1-2H3.
What are the key properties of propyl 2-(4-oxo-2-phenylquinazolin-3-yl)propanoate?
propyl 2-(4-oxo-2-phenylquinazolin-3-yl)propanoate has a molecular weight of 336.39 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(4-oxo-2-phenylquinazolin-3-yl)propanoate is sourced from PubChem (CID 2790341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).