5-(4-benzylpiperidin-1-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline

C22H22ClN5 — CID 46063233

IUPAC5-(4-benzylpiperidin-1-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline
SMILESCc1nnc2c3ccc(Cl)cc3nc(N3CCC(Cc4ccccc4)CC3)n12
InChIInChI=1S/C22H22ClN5/c1-15-25-26-21-19-8-7-18(23)14-20(19)24-22(28(15)21)27-11-9-17(10-12-27)13-16-5-3-2-4-6-16/h2-8,14,17H,9-13H2,1H3
InChIKeyVCDWLBIVOHYLGJ-UHFFFAOYSA-N
MW391.91 g/mol
LogP4.70
Rot. Bonds3

About 5-(4-benzylpiperidin-1-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline

5-(4-benzylpiperidin-1-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline (PubChem CID 46063233) has the molecular formula C22H22ClN5 and a molecular weight of 391.91 g/mol. Its IUPAC name is 5-(4-benzylpiperidin-1-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline.

Molecular Properties

Compound Name5-(4-benzylpiperidin-1-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline
PubChem CID46063233
Molecular FormulaC22H22ClN5
Molecular Weight391.91 g/mol
Exact Mass391.16
IUPAC Name5-(4-benzylpiperidin-1-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline
SMILESCc1nnc2c3ccc(Cl)cc3nc(N3CCC(Cc4ccccc4)CC3)n12
InChIInChI=1S/C22H22ClN5/c1-15-25-26-21-19-8-7-18(23)14-20(19)24-22(28(15)21)27-11-9-17(10-12-27)13-16-5-3-2-4-6-16/h2-8,14,17H,9-13H2,1H3
InChIKeyVCDWLBIVOHYLGJ-UHFFFAOYSA-N
XLogP4.70
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.91
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-benzylpiperidin-1-yl)-8-chloro-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]quinazoline
CID 42864375
(2S)-1-[4-(8-chloro-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]-2-phenylbutan-1-one
CID 92992899
3-benzyl-8-chloro-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]quinazoline
CID 46063214
5-(4-benzylpiperidin-1-yl)-3-(3,5-dimethoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazoline
CID 46063439
8-chloro-3-(2-methoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline
CID 42864387
[4-(3-benzyl-8-chloro-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]-cyclobutylmethanone
CID 46063607
8-chloro-3-(furan-2-yl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline
CID 46063247
[4-(8-chloro-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 46063636
8-chloro-3-(2-chlorophenyl)-5-piperidin-1-yl-[1,2,4]triazolo[4,3-c]quinazoline
CID 46063238
[(2S)-4-(8-chloro-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-2-methylpiperazin-1-yl]-cyclopentylmethanone
CID 92992914
2-(4-benzylpiperidin-1-yl)-5-chloro-1,3-benzothiazole
CID 171988061
4-[8-chloro-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine
CID 46063286

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidin-1-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline?
The IUPAC name of 5-(4-benzylpiperidin-1-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline (CID 46063233) is 5-(4-benzylpiperidin-1-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline.
What is the SMILES notation for 5-(4-benzylpiperidin-1-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline?
The canonical SMILES for 5-(4-benzylpiperidin-1-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline is Cc1nnc2c3ccc(Cl)cc3nc(N3CCC(Cc4ccccc4)CC3)n12.
What is the InChIKey of 5-(4-benzylpiperidin-1-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline?
The InChIKey is VCDWLBIVOHYLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5/c1-15-25-26-21-19-8-7-18(23)14-20(19)24-22(28(15)21)27-11-9-17(10-12-27)13-16-5-3-2-4-6-16/h2-8,14,17H,9-13H2,1H3.
What are the key properties of 5-(4-benzylpiperidin-1-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline?
5-(4-benzylpiperidin-1-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline has a molecular weight of 391.91 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidin-1-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline is sourced from PubChem (CID 46063233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).