diethyl 6-methoxy-3-(4-methoxyphenyl)-4H-quinazoline-2,4-dicarboxylate

C22H24N2O6 — CID 46928184

IUPACdiethyl 6-methoxy-3-(4-methoxyphenyl)-4H-quinazoline-2,4-dicarboxylate
SMILESCCOC(=O)C1=Nc2ccc(OC)cc2C(C(=O)OCC)N1c1ccc(OC)cc1
InChIInChI=1S/C22H24N2O6/c1-5-29-21(25)19-17-13-16(28-4)11-12-18(17)23-20(22(26)30-6-2)24(19)14-7-9-15(27-3)10-8-14/h7-13,19H,5-6H2,1-4H3
InChIKeyKJCPWLSKLIQPSR-UHFFFAOYSA-N
MW412.44 g/mol
LogP3.42
Rot. Bonds7

About diethyl 6-methoxy-3-(4-methoxyphenyl)-4H-quinazoline-2,4-dicarboxylate

diethyl 6-methoxy-3-(4-methoxyphenyl)-4H-quinazoline-2,4-dicarboxylate (PubChem CID 46928184) has the molecular formula C22H24N2O6 and a molecular weight of 412.44 g/mol. Its IUPAC name is diethyl 6-methoxy-3-(4-methoxyphenyl)-4H-quinazoline-2,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 6-methoxy-3-(4-methoxyphenyl)-4H-quinazoline-2,4-dicarboxylate
PubChem CID46928184
Molecular FormulaC22H24N2O6
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC Namediethyl 6-methoxy-3-(4-methoxyphenyl)-4H-quinazoline-2,4-dicarboxylate
SMILESCCOC(=O)C1=Nc2ccc(OC)cc2C(C(=O)OCC)N1c1ccc(OC)cc1
InChIInChI=1S/C22H24N2O6/c1-5-29-21(25)19-17-13-16(28-4)11-12-18(17)23-20(22(26)30-6-2)24(19)14-7-9-15(27-3)10-8-14/h7-13,19H,5-6H2,1-4H3
InChIKeyKJCPWLSKLIQPSR-UHFFFAOYSA-N
XLogP3.42
TPSA86.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of diethyl 6-methoxy-3-(4-methoxyphenyl)-4H-quinazoline-2,4-dicarboxylate?
The IUPAC name of diethyl 6-methoxy-3-(4-methoxyphenyl)-4H-quinazoline-2,4-dicarboxylate (CID 46928184) is diethyl 6-methoxy-3-(4-methoxyphenyl)-4H-quinazoline-2,4-dicarboxylate.
What is the SMILES notation for diethyl 6-methoxy-3-(4-methoxyphenyl)-4H-quinazoline-2,4-dicarboxylate?
The canonical SMILES for diethyl 6-methoxy-3-(4-methoxyphenyl)-4H-quinazoline-2,4-dicarboxylate is CCOC(=O)C1=Nc2ccc(OC)cc2C(C(=O)OCC)N1c1ccc(OC)cc1.
What is the InChIKey of diethyl 6-methoxy-3-(4-methoxyphenyl)-4H-quinazoline-2,4-dicarboxylate?
The InChIKey is KJCPWLSKLIQPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6/c1-5-29-21(25)19-17-13-16(28-4)11-12-18(17)23-20(22(26)30-6-2)24(19)14-7-9-15(27-3)10-8-14/h7-13,19H,5-6H2,1-4H3.
What are the key properties of diethyl 6-methoxy-3-(4-methoxyphenyl)-4H-quinazoline-2,4-dicarboxylate?
diethyl 6-methoxy-3-(4-methoxyphenyl)-4H-quinazoline-2,4-dicarboxylate has a molecular weight of 412.44 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 6-methoxy-3-(4-methoxyphenyl)-4H-quinazoline-2,4-dicarboxylate is sourced from PubChem (CID 46928184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).