ethyl 4-[7-(2-hydroxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate

C21H24N4O4 — CID 6471435

IUPACethyl 4-[7-(2-hydroxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ncc3c(n2)CC(c2ccccc2O)CC3=O)CC1
InChIInChI=1S/C21H24N4O4/c1-2-29-21(28)25-9-7-24(8-10-25)20-22-13-16-17(23-20)11-14(12-19(16)27)15-5-3-4-6-18(15)26/h3-6,13-14,26H,2,7-12H2,1H3
InChIKeyZHWMWLMFWAELPR-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.37
Rot. Bonds3

About ethyl 4-[7-(2-hydroxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate

ethyl 4-[7-(2-hydroxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate (PubChem CID 6471435) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is ethyl 4-[7-(2-hydroxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[7-(2-hydroxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate
PubChem CID6471435
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Nameethyl 4-[7-(2-hydroxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ncc3c(n2)CC(c2ccccc2O)CC3=O)CC1
InChIInChI=1S/C21H24N4O4/c1-2-29-21(28)25-9-7-24(8-10-25)20-22-13-16-17(23-20)11-14(12-19(16)27)15-5-3-4-6-18(15)26/h3-6,13-14,26H,2,7-12H2,1H3
InChIKeyZHWMWLMFWAELPR-UHFFFAOYSA-N
XLogP2.37
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[7-(2-hydroxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[7-(2-hydroxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate (CID 6471435) is ethyl 4-[7-(2-hydroxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[7-(2-hydroxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[7-(2-hydroxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ncc3c(n2)CC(c2ccccc2O)CC3=O)CC1.
What is the InChIKey of ethyl 4-[7-(2-hydroxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate?
The InChIKey is ZHWMWLMFWAELPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-2-29-21(28)25-9-7-24(8-10-25)20-22-13-16-17(23-20)11-14(12-19(16)27)15-5-3-4-6-18(15)26/h3-6,13-14,26H,2,7-12H2,1H3.
What are the key properties of ethyl 4-[7-(2-hydroxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate?
ethyl 4-[7-(2-hydroxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate has a molecular weight of 396.45 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[7-(2-hydroxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 6471435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).