ethyl 2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]acetate

C24H17Cl2N5O2 — CID 58799298

IUPACethyl 2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]acetate
SMILESCCOC(=O)C(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12
InChIInChI=1S/C24H17Cl2N5O2/c1-2-33-23(32)21(14-6-9-17(25)10-7-14)15-8-11-20-19(13-15)22(16-4-3-5-18(26)12-16)27-24-28-29-30-31(20)24/h3-13,21H,2H2,1H3
InChIKeyCRZOEDJUPQNGHC-UHFFFAOYSA-N
MW478.34 g/mol
LogP5.34
Rot. Bonds5

About ethyl 2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]acetate

ethyl 2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]acetate (PubChem CID 58799298) has the molecular formula C24H17Cl2N5O2 and a molecular weight of 478.34 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]acetate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]acetate
PubChem CID58799298
Molecular FormulaC24H17Cl2N5O2
Molecular Weight478.34 g/mol
Exact Mass477.08
IUPAC Nameethyl 2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]acetate
SMILESCCOC(=O)C(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12
InChIInChI=1S/C24H17Cl2N5O2/c1-2-33-23(32)21(14-6-9-17(25)10-7-14)15-8-11-20-19(13-15)22(16-4-3-5-18(26)12-16)27-24-28-29-30-31(20)24/h3-13,21H,2H2,1H3
InChIKeyCRZOEDJUPQNGHC-UHFFFAOYSA-N
XLogP5.34
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.34
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]acetate?
The IUPAC name of ethyl 2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]acetate (CID 58799298) is ethyl 2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]acetate.
What is the SMILES notation for ethyl 2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]acetate?
The canonical SMILES for ethyl 2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]acetate is CCOC(=O)C(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12.
What is the InChIKey of ethyl 2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]acetate?
The InChIKey is CRZOEDJUPQNGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N5O2/c1-2-33-23(32)21(14-6-9-17(25)10-7-14)15-8-11-20-19(13-15)22(16-4-3-5-18(26)12-16)27-24-28-29-30-31(20)24/h3-13,21H,2H2,1H3.
What are the key properties of ethyl 2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]acetate?
ethyl 2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]acetate has a molecular weight of 478.34 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]acetate is sourced from PubChem (CID 58799298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).