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

C24H20ClN9 — CID 16724266

IUPAC5-(3-chlorophenyl)-7-[(2-ethylimidazol-1-yl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinazoline
SMILESCCc1nccn1C(c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12)c1cncn1C
InChIInChI=1S/C24H20ClN9/c1-3-21-27-9-10-33(21)23(20-13-26-14-32(20)2)16-7-8-19-18(12-16)22(15-5-4-6-17(25)11-15)28-24-29-30-31-34(19)24/h4-14,23H,3H2,1-2H3
InChIKeyQZTKVVWCNAQOLI-UHFFFAOYSA-N
MW469.94 g/mol
LogP4.12
Rot. Bonds5

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

5-(3-chlorophenyl)-7-[(2-ethylimidazol-1-yl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinazoline (PubChem CID 16724266) has the molecular formula C24H20ClN9 and a molecular weight of 469.94 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-7-[(2-ethylimidazol-1-yl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinazoline.

Molecular Properties

Compound Name5-(3-chlorophenyl)-7-[(2-ethylimidazol-1-yl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinazoline
PubChem CID16724266
Molecular FormulaC24H20ClN9
Molecular Weight469.94 g/mol
Exact Mass469.15
IUPAC Name5-(3-chlorophenyl)-7-[(2-ethylimidazol-1-yl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinazoline
SMILESCCc1nccn1C(c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12)c1cncn1C
InChIInChI=1S/C24H20ClN9/c1-3-21-27-9-10-33(21)23(20-13-26-14-32(20)2)16-7-8-19-18(12-16)22(15-5-4-6-17(25)11-15)28-24-29-30-31-34(19)24/h4-14,23H,3H2,1-2H3
InChIKeyQZTKVVWCNAQOLI-UHFFFAOYSA-N
XLogP4.12
TPSA91.61 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.94
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-7-[(2-ethylimidazol-1-yl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinazoline?
The IUPAC name of 5-(3-chlorophenyl)-7-[(2-ethylimidazol-1-yl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinazoline (CID 16724266) is 5-(3-chlorophenyl)-7-[(2-ethylimidazol-1-yl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinazoline.
What is the SMILES notation for 5-(3-chlorophenyl)-7-[(2-ethylimidazol-1-yl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinazoline?
The canonical SMILES for 5-(3-chlorophenyl)-7-[(2-ethylimidazol-1-yl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinazoline is CCc1nccn1C(c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12)c1cncn1C.
What is the InChIKey of 5-(3-chlorophenyl)-7-[(2-ethylimidazol-1-yl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinazoline?
The InChIKey is QZTKVVWCNAQOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN9/c1-3-21-27-9-10-33(21)23(20-13-26-14-32(20)2)16-7-8-19-18(12-16)22(15-5-4-6-17(25)11-15)28-24-29-30-31-34(19)24/h4-14,23H,3H2,1-2H3.
What are the key properties of 5-(3-chlorophenyl)-7-[(2-ethylimidazol-1-yl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinazoline?
5-(3-chlorophenyl)-7-[(2-ethylimidazol-1-yl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinazoline has a molecular weight of 469.94 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-7-[(2-ethylimidazol-1-yl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinazoline is sourced from PubChem (CID 16724266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).