ethyl 4-(4-methoxyphenyl)-2-oxo-6-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

C25H24N4O7 — CID 46792894

IUPACethyl 4-(4-methoxyphenyl)-2-oxo-6-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(COC(=O)Cn2cnc3ccccc3c2=O)NC(=O)NC1c1ccc(OC)cc1
InChIInChI=1S/C25H24N4O7/c1-3-35-24(32)21-19(27-25(33)28-22(21)15-8-10-16(34-2)11-9-15)13-36-20(30)12-29-14-26-18-7-5-4-6-17(18)23(29)31/h4-11,14,22H,3,12-13H2,1-2H3,(H2,27,28,33)
InChIKeyVGSYSRNQWZLOEE-UHFFFAOYSA-N
MW492.49 g/mol
LogP1.82
Rot. Bonds8

About ethyl 4-(4-methoxyphenyl)-2-oxo-6-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 4-(4-methoxyphenyl)-2-oxo-6-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 46792894) has the molecular formula C25H24N4O7 and a molecular weight of 492.49 g/mol. Its IUPAC name is ethyl 4-(4-methoxyphenyl)-2-oxo-6-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methoxyphenyl)-2-oxo-6-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID46792894
Molecular FormulaC25H24N4O7
Molecular Weight492.49 g/mol
Exact Mass492.16
IUPAC Nameethyl 4-(4-methoxyphenyl)-2-oxo-6-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(COC(=O)Cn2cnc3ccccc3c2=O)NC(=O)NC1c1ccc(OC)cc1
InChIInChI=1S/C25H24N4O7/c1-3-35-24(32)21-19(27-25(33)28-22(21)15-8-10-16(34-2)11-9-15)13-36-20(30)12-29-14-26-18-7-5-4-6-17(18)23(29)31/h4-11,14,22H,3,12-13H2,1-2H3,(H2,27,28,33)
InChIKeyVGSYSRNQWZLOEE-UHFFFAOYSA-N
XLogP1.82
TPSA137.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.49
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methoxyphenyl)-2-oxo-6-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(4-methoxyphenyl)-2-oxo-6-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 46792894) is ethyl 4-(4-methoxyphenyl)-2-oxo-6-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(4-methoxyphenyl)-2-oxo-6-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(4-methoxyphenyl)-2-oxo-6-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(COC(=O)Cn2cnc3ccccc3c2=O)NC(=O)NC1c1ccc(OC)cc1.
What is the InChIKey of ethyl 4-(4-methoxyphenyl)-2-oxo-6-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is VGSYSRNQWZLOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O7/c1-3-35-24(32)21-19(27-25(33)28-22(21)15-8-10-16(34-2)11-9-15)13-36-20(30)12-29-14-26-18-7-5-4-6-17(18)23(29)31/h4-11,14,22H,3,12-13H2,1-2H3,(H2,27,28,33).
What are the key properties of ethyl 4-(4-methoxyphenyl)-2-oxo-6-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 4-(4-methoxyphenyl)-2-oxo-6-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 492.49 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methoxyphenyl)-2-oxo-6-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 46792894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).