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

C22H13Cl2N5O2 — CID 58799293

IUPAC2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]acetic acid
SMILESO=C(O)C(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12
InChIInChI=1S/C22H13Cl2N5O2/c23-15-7-4-12(5-8-15)19(21(30)31)13-6-9-18-17(11-13)20(14-2-1-3-16(24)10-14)25-22-26-27-28-29(18)22/h1-11,19H,(H,30,31)
InChIKeyYMVXGLDAPXGYCE-UHFFFAOYSA-N
MW450.29 g/mol
LogP4.86
Rot. Bonds4

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

2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]acetic acid (PubChem CID 58799293) has the molecular formula C22H13Cl2N5O2 and a molecular weight of 450.29 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]acetic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]acetic acid
PubChem CID58799293
Molecular FormulaC22H13Cl2N5O2
Molecular Weight450.29 g/mol
Exact Mass449.04
IUPAC Name2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]acetic acid
SMILESO=C(O)C(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12
InChIInChI=1S/C22H13Cl2N5O2/c23-15-7-4-12(5-8-15)19(21(30)31)13-6-9-18-17(11-13)20(14-2-1-3-16(24)10-14)25-22-26-27-28-29(18)22/h1-11,19H,(H,30,31)
InChIKeyYMVXGLDAPXGYCE-UHFFFAOYSA-N
XLogP4.86
TPSA93.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.29
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]acetic acid?
The IUPAC name of 2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]acetic acid (CID 58799293) is 2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]acetic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]acetic acid?
The canonical SMILES for 2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]acetic acid is O=C(O)C(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12.
What is the InChIKey of 2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]acetic acid?
The InChIKey is YMVXGLDAPXGYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl2N5O2/c23-15-7-4-12(5-8-15)19(21(30)31)13-6-9-18-17(11-13)20(14-2-1-3-16(24)10-14)25-22-26-27-28-29(18)22/h1-11,19H,(H,30,31).
What are the key properties of 2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]acetic acid?
2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]acetic acid has a molecular weight of 450.29 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]acetic acid is sourced from PubChem (CID 58799293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).