2-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]acetic acid

C18H13ClN4O2 — CID 68606428

IUPAC2-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]acetic acid
SMILESCc1cc2c(ccc3nnnn32)c(-c2ccc(Cl)cc2)c1CC(=O)O
InChIInChI=1S/C18H13ClN4O2/c1-10-8-15-13(6-7-16-20-21-22-23(15)16)18(14(10)9-17(24)25)11-2-4-12(19)5-3-11/h2-8H,9H2,1H3,(H,24,25)
InChIKeyBNDHRPCYCCVTAV-UHFFFAOYSA-N
MW352.78 g/mol
LogP3.53
Rot. Bonds3

About 2-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]acetic acid

2-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]acetic acid (PubChem CID 68606428) has the molecular formula C18H13ClN4O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]acetic acid
PubChem CID68606428
Molecular FormulaC18H13ClN4O2
Molecular Weight352.78 g/mol
Exact Mass352.07
IUPAC Name2-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]acetic acid
SMILESCc1cc2c(ccc3nnnn32)c(-c2ccc(Cl)cc2)c1CC(=O)O
InChIInChI=1S/C18H13ClN4O2/c1-10-8-15-13(6-7-16-20-21-22-23(15)16)18(14(10)9-17(24)25)11-2-4-12(19)5-3-11/h2-8H,9H2,1H3,(H,24,25)
InChIKeyBNDHRPCYCCVTAV-UHFFFAOYSA-N
XLogP3.53
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]acetic acid?
The IUPAC name of 2-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]acetic acid (CID 68606428) is 2-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]acetic acid.
What is the SMILES notation for 2-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]acetic acid?
The canonical SMILES for 2-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]acetic acid is Cc1cc2c(ccc3nnnn32)c(-c2ccc(Cl)cc2)c1CC(=O)O.
What is the InChIKey of 2-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]acetic acid?
The InChIKey is BNDHRPCYCCVTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2/c1-10-8-15-13(6-7-16-20-21-22-23(15)16)18(14(10)9-17(24)25)11-2-4-12(19)5-3-11/h2-8H,9H2,1H3,(H,24,25).
What are the key properties of 2-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]acetic acid?
2-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]acetic acid has a molecular weight of 352.78 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]acetic acid is sourced from PubChem (CID 68606428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).