5-(3-chlorophenyl)-7-[(4-iodophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]tetrazolo[1,5-a]quinazoline

C24H16ClIN8 — CID 21082061

IUPAC5-(3-chlorophenyl)-7-[(4-iodophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]tetrazolo[1,5-a]quinazoline
SMILESCn1cnnc1C(c1ccc(I)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12
InChIInChI=1S/C24H16ClIN8/c1-33-13-27-29-23(33)21(14-5-8-18(26)9-6-14)15-7-10-20-19(12-15)22(16-3-2-4-17(25)11-16)28-24-30-31-32-34(20)24/h2-13,21H,1H3
InChIKeySOXHAGCEYLPXDP-UHFFFAOYSA-N
MW578.81 g/mol
LogP4.91
Rot. Bonds4

About 5-(3-chlorophenyl)-7-[(4-iodophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]tetrazolo[1,5-a]quinazoline

5-(3-chlorophenyl)-7-[(4-iodophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]tetrazolo[1,5-a]quinazoline (PubChem CID 21082061) has the molecular formula C24H16ClIN8 and a molecular weight of 578.81 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-7-[(4-iodophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]tetrazolo[1,5-a]quinazoline.

Molecular Properties

Compound Name5-(3-chlorophenyl)-7-[(4-iodophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]tetrazolo[1,5-a]quinazoline
PubChem CID21082061
Molecular FormulaC24H16ClIN8
Molecular Weight578.81 g/mol
Exact Mass578.02
IUPAC Name5-(3-chlorophenyl)-7-[(4-iodophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]tetrazolo[1,5-a]quinazoline
SMILESCn1cnnc1C(c1ccc(I)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12
InChIInChI=1S/C24H16ClIN8/c1-33-13-27-29-23(33)21(14-5-8-18(26)9-6-14)15-7-10-20-19(12-15)22(16-3-2-4-17(25)11-16)28-24-30-31-32-34(20)24/h2-13,21H,1H3
InChIKeySOXHAGCEYLPXDP-UHFFFAOYSA-N
XLogP4.91
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.81
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-(3-chlorophenyl)-7-[(4-iodophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]tetrazolo[1,5-a]quinazoline 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 5-(3-chlorophenyl)-7-[(4-iodophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]tetrazolo[1,5-a]quinazoline?
The IUPAC name of 5-(3-chlorophenyl)-7-[(4-iodophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]tetrazolo[1,5-a]quinazoline (CID 21082061) is 5-(3-chlorophenyl)-7-[(4-iodophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]tetrazolo[1,5-a]quinazoline.
What is the SMILES notation for 5-(3-chlorophenyl)-7-[(4-iodophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]tetrazolo[1,5-a]quinazoline?
The canonical SMILES for 5-(3-chlorophenyl)-7-[(4-iodophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]tetrazolo[1,5-a]quinazoline is Cn1cnnc1C(c1ccc(I)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12.
What is the InChIKey of 5-(3-chlorophenyl)-7-[(4-iodophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]tetrazolo[1,5-a]quinazoline?
The InChIKey is SOXHAGCEYLPXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClIN8/c1-33-13-27-29-23(33)21(14-5-8-18(26)9-6-14)15-7-10-20-19(12-15)22(16-3-2-4-17(25)11-16)28-24-30-31-32-34(20)24/h2-13,21H,1H3.
What are the key properties of 5-(3-chlorophenyl)-7-[(4-iodophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]tetrazolo[1,5-a]quinazoline?
5-(3-chlorophenyl)-7-[(4-iodophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]tetrazolo[1,5-a]quinazoline has a molecular weight of 578.81 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-7-[(4-iodophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]tetrazolo[1,5-a]quinazoline is sourced from PubChem (CID 21082061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).