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

C23H14Cl2N4O2 — CID 21082066

IUPAC2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]acetic acid
SMILESO=C(O)C(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12
InChIInChI=1S/C23H14Cl2N4O2/c24-16-7-4-13(5-8-16)22(23(30)31)15-6-9-20-19(11-15)18(12-21-26-27-28-29(20)21)14-2-1-3-17(25)10-14/h1-12,22H,(H,30,31)
InChIKeyUYBMMYDBUOGORY-UHFFFAOYSA-N
MW449.30 g/mol
LogP5.47
Rot. Bonds4

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

2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]acetic acid (PubChem CID 21082066) has the molecular formula C23H14Cl2N4O2 and a molecular weight of 449.30 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]acetic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]acetic acid
PubChem CID21082066
Molecular FormulaC23H14Cl2N4O2
Molecular Weight449.30 g/mol
Exact Mass448.05
IUPAC Name2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]acetic acid
SMILESO=C(O)C(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12
InChIInChI=1S/C23H14Cl2N4O2/c24-16-7-4-13(5-8-16)22(23(30)31)15-6-9-20-19(11-15)18(12-21-26-27-28-29(20)21)14-2-1-3-17(25)10-14/h1-12,22H,(H,30,31)
InChIKeyUYBMMYDBUOGORY-UHFFFAOYSA-N
XLogP5.47
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.30
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]acetic acid?
The IUPAC name of 2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]acetic acid (CID 21082066) is 2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]acetic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]acetic acid?
The canonical SMILES for 2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]acetic acid is O=C(O)C(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12.
What is the InChIKey of 2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]acetic acid?
The InChIKey is UYBMMYDBUOGORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2N4O2/c24-16-7-4-13(5-8-16)22(23(30)31)15-6-9-20-19(11-15)18(12-21-26-27-28-29(20)21)14-2-1-3-17(25)10-14/h1-12,22H,(H,30,31).
What are the key properties of 2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]acetic acid?
2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]acetic acid has a molecular weight of 449.30 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]acetic acid is sourced from PubChem (CID 21082066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).