methyl 2-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanoate

C22H20N2O4 — CID 122179890

IUPACmethyl 2-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2NC1c1ccco1
InChIInChI=1S/C22H20N2O4/c1-27-22(26)18(14-15-8-3-2-4-9-15)24-20(19-12-7-13-28-19)23-17-11-6-5-10-16(17)21(24)25/h2-13,18,20,23H,14H2,1H3
InChIKeyUVRKKHKVZQMXHK-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.63
Rot. Bonds5

About methyl 2-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanoate

methyl 2-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanoate (PubChem CID 122179890) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is methyl 2-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanoate
PubChem CID122179890
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Namemethyl 2-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2NC1c1ccco1
InChIInChI=1S/C22H20N2O4/c1-27-22(26)18(14-15-8-3-2-4-9-15)24-20(19-12-7-13-28-19)23-17-11-6-5-10-16(17)21(24)25/h2-13,18,20,23H,14H2,1H3
InChIKeyUVRKKHKVZQMXHK-UHFFFAOYSA-N
XLogP3.63
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanoate?
The IUPAC name of methyl 2-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanoate (CID 122179890) is methyl 2-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanoate.
What is the SMILES notation for methyl 2-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanoate?
The canonical SMILES for methyl 2-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2NC1c1ccco1.
What is the InChIKey of methyl 2-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanoate?
The InChIKey is UVRKKHKVZQMXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-27-22(26)18(14-15-8-3-2-4-9-15)24-20(19-12-7-13-28-19)23-17-11-6-5-10-16(17)21(24)25/h2-13,18,20,23H,14H2,1H3.
What are the key properties of methyl 2-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanoate?
methyl 2-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanoate has a molecular weight of 376.41 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanoate is sourced from PubChem (CID 122179890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).