3-[1-(4-phenylphenyl)tetrazol-5-yl]-1H-quinolin-4-one

C22H15N5O — CID 1208121

IUPAC3-[1-(4-phenylphenyl)tetrazol-5-yl]-1H-quinolin-4-one
SMILESO=c1c(-c2nnnn2-c2ccc(-c3ccccc3)cc2)c[nH]c2ccccc12
InChIInChI=1S/C22H15N5O/c28-21-18-8-4-5-9-20(18)23-14-19(21)22-24-25-26-27(22)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-14H,(H,23,28)
InChIKeyGGPVZQRCWVNSKB-UHFFFAOYSA-N
MW365.40 g/mol
LogP3.84
Rot. Bonds3

About 3-[1-(4-phenylphenyl)tetrazol-5-yl]-1H-quinolin-4-one

3-[1-(4-phenylphenyl)tetrazol-5-yl]-1H-quinolin-4-one (PubChem CID 1208121) has the molecular formula C22H15N5O and a molecular weight of 365.40 g/mol. Its IUPAC name is 3-[1-(4-phenylphenyl)tetrazol-5-yl]-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[1-(4-phenylphenyl)tetrazol-5-yl]-1H-quinolin-4-one
PubChem CID1208121
Molecular FormulaC22H15N5O
Molecular Weight365.40 g/mol
Exact Mass365.13
IUPAC Name3-[1-(4-phenylphenyl)tetrazol-5-yl]-1H-quinolin-4-one
SMILESO=c1c(-c2nnnn2-c2ccc(-c3ccccc3)cc2)c[nH]c2ccccc12
InChIInChI=1S/C22H15N5O/c28-21-18-8-4-5-9-20(18)23-14-19(21)22-24-25-26-27(22)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-14H,(H,23,28)
InChIKeyGGPVZQRCWVNSKB-UHFFFAOYSA-N
XLogP3.84
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-(4-phenylphenyl)tetrazol-5-yl]-1H-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-phenylphenyl)tetrazol-5-yl]-1H-quinolin-4-one?
The IUPAC name of 3-[1-(4-phenylphenyl)tetrazol-5-yl]-1H-quinolin-4-one (CID 1208121) is 3-[1-(4-phenylphenyl)tetrazol-5-yl]-1H-quinolin-4-one.
What is the SMILES notation for 3-[1-(4-phenylphenyl)tetrazol-5-yl]-1H-quinolin-4-one?
The canonical SMILES for 3-[1-(4-phenylphenyl)tetrazol-5-yl]-1H-quinolin-4-one is O=c1c(-c2nnnn2-c2ccc(-c3ccccc3)cc2)c[nH]c2ccccc12.
What is the InChIKey of 3-[1-(4-phenylphenyl)tetrazol-5-yl]-1H-quinolin-4-one?
The InChIKey is GGPVZQRCWVNSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5O/c28-21-18-8-4-5-9-20(18)23-14-19(21)22-24-25-26-27(22)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-14H,(H,23,28).
What are the key properties of 3-[1-(4-phenylphenyl)tetrazol-5-yl]-1H-quinolin-4-one?
3-[1-(4-phenylphenyl)tetrazol-5-yl]-1H-quinolin-4-one has a molecular weight of 365.40 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-phenylphenyl)tetrazol-5-yl]-1H-quinolin-4-one is sourced from PubChem (CID 1208121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).