ethyl 4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate

C17H16N2O3 — CID 5177010

IUPACethyl 4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)NC(=O)c2ccccc2N1
InChIInChI=1S/C17H16N2O3/c1-2-22-16(21)17(12-8-4-3-5-9-12)18-14-11-7-6-10-13(14)15(20)19-17/h3-11,18H,2H2,1H3,(H,19,20)
InChIKeyNLWMXPHIGTZMMR-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.26
Rot. Bonds3

About ethyl 4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate

ethyl 4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate (PubChem CID 5177010) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is ethyl 4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate
PubChem CID5177010
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Nameethyl 4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)NC(=O)c2ccccc2N1
InChIInChI=1S/C17H16N2O3/c1-2-22-16(21)17(12-8-4-3-5-9-12)18-14-11-7-6-10-13(14)15(20)19-17/h3-11,18H,2H2,1H3,(H,19,20)
InChIKeyNLWMXPHIGTZMMR-UHFFFAOYSA-N
XLogP2.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate?
The IUPAC name of ethyl 4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate (CID 5177010) is ethyl 4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate.
What is the SMILES notation for ethyl 4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate?
The canonical SMILES for ethyl 4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate is CCOC(=O)C1(c2ccccc2)NC(=O)c2ccccc2N1.
What is the InChIKey of ethyl 4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate?
The InChIKey is NLWMXPHIGTZMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-2-22-16(21)17(12-8-4-3-5-9-12)18-14-11-7-6-10-13(14)15(20)19-17/h3-11,18H,2H2,1H3,(H,19,20).
What are the key properties of ethyl 4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate?
ethyl 4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate has a molecular weight of 296.33 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate is sourced from PubChem (CID 5177010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).