(4-oxo-3H-quinazolin-2-yl)methyl (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate

C20H18N2O5 — CID 135785210

IUPAC(4-oxo-3H-quinazolin-2-yl)methyl (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
SMILESCOc1ccc(/C=C/C(=O)OCc2nc3ccccc3c(=O)[nH]2)c(OC)c1
InChIInChI=1S/C20H18N2O5/c1-25-14-9-7-13(17(11-14)26-2)8-10-19(23)27-12-18-21-16-6-4-3-5-15(16)20(24)22-18/h3-11H,12H2,1-2H3,(H,21,22,24)/b10-8+
InChIKeyMVIUNANUMDPTIJ-CSKARUKUSA-N
MW366.37 g/mol
LogP2.70
Rot. Bonds6

About (4-oxo-3H-quinazolin-2-yl)methyl (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate

(4-oxo-3H-quinazolin-2-yl)methyl (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate (PubChem CID 135785210) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is (4-oxo-3H-quinazolin-2-yl)methyl (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-oxo-3H-quinazolin-2-yl)methyl (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
PubChem CID135785210
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name(4-oxo-3H-quinazolin-2-yl)methyl (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
SMILESCOc1ccc(/C=C/C(=O)OCc2nc3ccccc3c(=O)[nH]2)c(OC)c1
InChIInChI=1S/C20H18N2O5/c1-25-14-9-7-13(17(11-14)26-2)8-10-19(23)27-12-18-21-16-6-4-3-5-15(16)20(24)22-18/h3-11H,12H2,1-2H3,(H,21,22,24)/b10-8+
InChIKeyMVIUNANUMDPTIJ-CSKARUKUSA-N
XLogP2.70
TPSA90.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-oxo-3H-quinazolin-2-yl)methyl (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate?
The IUPAC name of (4-oxo-3H-quinazolin-2-yl)methyl (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate (CID 135785210) is (4-oxo-3H-quinazolin-2-yl)methyl (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate.
What is the SMILES notation for (4-oxo-3H-quinazolin-2-yl)methyl (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate?
The canonical SMILES for (4-oxo-3H-quinazolin-2-yl)methyl (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate is COc1ccc(/C=C/C(=O)OCc2nc3ccccc3c(=O)[nH]2)c(OC)c1.
What is the InChIKey of (4-oxo-3H-quinazolin-2-yl)methyl (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate?
The InChIKey is MVIUNANUMDPTIJ-CSKARUKUSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-25-14-9-7-13(17(11-14)26-2)8-10-19(23)27-12-18-21-16-6-4-3-5-15(16)20(24)22-18/h3-11H,12H2,1-2H3,(H,21,22,24)/b10-8+.
What are the key properties of (4-oxo-3H-quinazolin-2-yl)methyl (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate?
(4-oxo-3H-quinazolin-2-yl)methyl (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate has a molecular weight of 366.37 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-3H-quinazolin-2-yl)methyl (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 135785210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).