3-[1-(4-chlorophenyl)tetrazol-5-yl]-1-phenacylquinolin-4-one

C24H16ClN5O2 — CID 1046866

IUPAC3-[1-(4-chlorophenyl)tetrazol-5-yl]-1-phenacylquinolin-4-one
SMILESO=C(Cn1cc(-c2nnnn2-c2ccc(Cl)cc2)c(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C24H16ClN5O2/c25-17-10-12-18(13-11-17)30-24(26-27-28-30)20-14-29(15-22(31)16-6-2-1-3-7-16)21-9-5-4-8-19(21)23(20)32/h1-14H,15H2
InChIKeyOZFIRPFTFJZREH-UHFFFAOYSA-N
MW441.88 g/mol
LogP4.18
Rot. Bonds5

About 3-[1-(4-chlorophenyl)tetrazol-5-yl]-1-phenacylquinolin-4-one

3-[1-(4-chlorophenyl)tetrazol-5-yl]-1-phenacylquinolin-4-one (PubChem CID 1046866) has the molecular formula C24H16ClN5O2 and a molecular weight of 441.88 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)tetrazol-5-yl]-1-phenacylquinolin-4-one.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)tetrazol-5-yl]-1-phenacylquinolin-4-one
PubChem CID1046866
Molecular FormulaC24H16ClN5O2
Molecular Weight441.88 g/mol
Exact Mass441.10
IUPAC Name3-[1-(4-chlorophenyl)tetrazol-5-yl]-1-phenacylquinolin-4-one
SMILESO=C(Cn1cc(-c2nnnn2-c2ccc(Cl)cc2)c(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C24H16ClN5O2/c25-17-10-12-18(13-11-17)30-24(26-27-28-30)20-14-29(15-22(31)16-6-2-1-3-7-16)21-9-5-4-8-19(21)23(20)32/h1-14H,15H2
InChIKeyOZFIRPFTFJZREH-UHFFFAOYSA-N
XLogP4.18
TPSA82.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.88
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)tetrazol-5-yl]-1-phenacylquinolin-4-one?
The IUPAC name of 3-[1-(4-chlorophenyl)tetrazol-5-yl]-1-phenacylquinolin-4-one (CID 1046866) is 3-[1-(4-chlorophenyl)tetrazol-5-yl]-1-phenacylquinolin-4-one.
What is the SMILES notation for 3-[1-(4-chlorophenyl)tetrazol-5-yl]-1-phenacylquinolin-4-one?
The canonical SMILES for 3-[1-(4-chlorophenyl)tetrazol-5-yl]-1-phenacylquinolin-4-one is O=C(Cn1cc(-c2nnnn2-c2ccc(Cl)cc2)c(=O)c2ccccc21)c1ccccc1.
What is the InChIKey of 3-[1-(4-chlorophenyl)tetrazol-5-yl]-1-phenacylquinolin-4-one?
The InChIKey is OZFIRPFTFJZREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN5O2/c25-17-10-12-18(13-11-17)30-24(26-27-28-30)20-14-29(15-22(31)16-6-2-1-3-7-16)21-9-5-4-8-19(21)23(20)32/h1-14H,15H2.
What are the key properties of 3-[1-(4-chlorophenyl)tetrazol-5-yl]-1-phenacylquinolin-4-one?
3-[1-(4-chlorophenyl)tetrazol-5-yl]-1-phenacylquinolin-4-one has a molecular weight of 441.88 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)tetrazol-5-yl]-1-phenacylquinolin-4-one is sourced from PubChem (CID 1046866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).