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

C28H19ClFN9 — CID 10119478

IUPAC5-(3-chlorophenyl)-7-[[2-(4-fluorophenyl)imidazol-1-yl]-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinazoline
SMILESCn1cncc1C(c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12)n1ccnc1-c1ccc(F)cc1
InChIInChI=1S/C28H19ClFN9/c1-37-16-31-15-24(37)26(38-12-11-32-27(38)17-5-8-21(30)9-6-17)19-7-10-23-22(14-19)25(18-3-2-4-20(29)13-18)33-28-34-35-36-39(23)28/h2-16,26H,1H3
InChIKeyHDGFQGNDTIVLBZ-UHFFFAOYSA-N
MW535.97 g/mol
LogP5.37
Rot. Bonds5

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

5-(3-chlorophenyl)-7-[[2-(4-fluorophenyl)imidazol-1-yl]-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinazoline (PubChem CID 10119478) has the molecular formula C28H19ClFN9 and a molecular weight of 535.97 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-7-[[2-(4-fluorophenyl)imidazol-1-yl]-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinazoline.

Molecular Properties

Compound Name5-(3-chlorophenyl)-7-[[2-(4-fluorophenyl)imidazol-1-yl]-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinazoline
PubChem CID10119478
Molecular FormulaC28H19ClFN9
Molecular Weight535.97 g/mol
Exact Mass535.14
IUPAC Name5-(3-chlorophenyl)-7-[[2-(4-fluorophenyl)imidazol-1-yl]-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinazoline
SMILESCn1cncc1C(c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12)n1ccnc1-c1ccc(F)cc1
InChIInChI=1S/C28H19ClFN9/c1-37-16-31-15-24(37)26(38-12-11-32-27(38)17-5-8-21(30)9-6-17)19-7-10-23-22(14-19)25(18-3-2-4-20(29)13-18)33-28-34-35-36-39(23)28/h2-16,26H,1H3
InChIKeyHDGFQGNDTIVLBZ-UHFFFAOYSA-N
XLogP5.37
TPSA91.61 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.97
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

3-((N-(2-tetrazol-5-yl-6-chlorobenzyl)-5-indolyl)methyl)-5,7-dimethyl-2-ethyl-3H-imidazo(4,5-b)pyridine
CID 192345
(4-chlorophenyl)(5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl)(1-methyl-1H-imidazol-5-yl)methanamine
CID 9848861
3-[1-[[5-(3-Chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methyl]imidazol-2-yl]benzonitrile
CID 10143705
5-(3-Chlorophenyl)-7-[(3-methylimidazol-4-yl)-(2-phenylimidazol-1-yl)methyl]tetrazolo[1,5-a]quinazoline
CID 10229664
6-[Difluoro-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
CID 57338725
6-[(1S)-1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 59341847
3-(1-Methylpyrazol-4-yl)-6-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 137640338
7-Fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 137645348
5,7-Difluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 141370291
8-Chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline
CID 142423813
6-[Difluoro-[6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
CID 127045833
7-Fluoro-3-(1-methylpyrazol-4-yl)-6-[1-(5-pyridin-4-yltriazolo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 137632523

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-7-[[2-(4-fluorophenyl)imidazol-1-yl]-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinazoline?
The IUPAC name of 5-(3-chlorophenyl)-7-[[2-(4-fluorophenyl)imidazol-1-yl]-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinazoline (CID 10119478) is 5-(3-chlorophenyl)-7-[[2-(4-fluorophenyl)imidazol-1-yl]-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinazoline.
What is the SMILES notation for 5-(3-chlorophenyl)-7-[[2-(4-fluorophenyl)imidazol-1-yl]-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinazoline?
The canonical SMILES for 5-(3-chlorophenyl)-7-[[2-(4-fluorophenyl)imidazol-1-yl]-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinazoline is Cn1cncc1C(c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12)n1ccnc1-c1ccc(F)cc1.
What is the InChIKey of 5-(3-chlorophenyl)-7-[[2-(4-fluorophenyl)imidazol-1-yl]-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinazoline?
The InChIKey is HDGFQGNDTIVLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19ClFN9/c1-37-16-31-15-24(37)26(38-12-11-32-27(38)17-5-8-21(30)9-6-17)19-7-10-23-22(14-19)25(18-3-2-4-20(29)13-18)33-28-34-35-36-39(23)28/h2-16,26H,1H3.
What are the key properties of 5-(3-chlorophenyl)-7-[[2-(4-fluorophenyl)imidazol-1-yl]-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinazoline?
5-(3-chlorophenyl)-7-[[2-(4-fluorophenyl)imidazol-1-yl]-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinazoline has a molecular weight of 535.97 g/mol, XLogP of 5.37, 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-(4-fluorophenyl)imidazol-1-yl]-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinazoline is sourced from PubChem (CID 10119478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).