5-(4-benzylpiperidin-1-yl)-7-chloro-3-(3-methylphenyl)triazolo[1,5-a]quinazoline

C28H26ClN5 — CID 16813284

IUPAC5-(4-benzylpiperidin-1-yl)-7-chloro-3-(3-methylphenyl)triazolo[1,5-a]quinazoline
SMILESCc1cccc(-c2nnn3c2nc(N2CCC(Cc4ccccc4)CC2)c2cc(Cl)ccc23)c1
InChIInChI=1S/C28H26ClN5/c1-19-6-5-9-22(16-19)26-28-30-27(24-18-23(29)10-11-25(24)34(28)32-31-26)33-14-12-21(13-15-33)17-20-7-3-2-4-8-20/h2-11,16,18,21H,12-15,17H2,1H3
InChIKeyALDKYMPMEBGHLZ-UHFFFAOYSA-N
MW468.00 g/mol
LogP6.37
Rot. Bonds4

About 5-(4-benzylpiperidin-1-yl)-7-chloro-3-(3-methylphenyl)triazolo[1,5-a]quinazoline

5-(4-benzylpiperidin-1-yl)-7-chloro-3-(3-methylphenyl)triazolo[1,5-a]quinazoline (PubChem CID 16813284) has the molecular formula C28H26ClN5 and a molecular weight of 468.00 g/mol. Its IUPAC name is 5-(4-benzylpiperidin-1-yl)-7-chloro-3-(3-methylphenyl)triazolo[1,5-a]quinazoline.

Molecular Properties

Compound Name5-(4-benzylpiperidin-1-yl)-7-chloro-3-(3-methylphenyl)triazolo[1,5-a]quinazoline
PubChem CID16813284
Molecular FormulaC28H26ClN5
Molecular Weight468.00 g/mol
Exact Mass467.19
IUPAC Name5-(4-benzylpiperidin-1-yl)-7-chloro-3-(3-methylphenyl)triazolo[1,5-a]quinazoline
SMILESCc1cccc(-c2nnn3c2nc(N2CCC(Cc4ccccc4)CC2)c2cc(Cl)ccc23)c1
InChIInChI=1S/C28H26ClN5/c1-19-6-5-9-22(16-19)26-28-30-27(24-18-23(29)10-11-25(24)34(28)32-31-26)33-14-12-21(13-15-33)17-20-7-3-2-4-8-20/h2-11,16,18,21H,12-15,17H2,1H3
InChIKeyALDKYMPMEBGHLZ-UHFFFAOYSA-N
XLogP6.37
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.00
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[7-chloro-3-(3-methylphenyl)triazolo[1,5-a]quinazolin-5-yl]thiomorpholine
CID 20874546
7-chloro-5-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(3-methylphenyl)triazolo[1,5-a]quinazoline
CID 20874543
4-[7-chloro-3-(3-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]morpholine
CID 8721556
4-[7-chloro-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-yl]morpholine
CID 20874488
3-(4-chlorophenyl)-5-(4-methylpiperidin-1-yl)triazolo[1,5-a]quinazoline
CID 20874446
N-benzyl-7-chloro-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine
CID 20874483
5-(4-benzylpiperidin-1-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline
CID 46063233
4-(4-benzylpiperidin-1-yl)tetrazolo[1,5-a]quinoxaline
CID 3241422
(4-benzylpiperidin-1-yl)-(6-chloro-2-phenylquinolin-4-yl)methanone
CID 17250380
4-(4-benzylpiperidin-1-yl)-2-phenylquinazoline
CID 10177767
2-[(4-benzylpiperidin-1-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 71901584
5-(4-benzylpiperidin-1-yl)-3-(3,5-dimethoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazoline
CID 46063439

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidin-1-yl)-7-chloro-3-(3-methylphenyl)triazolo[1,5-a]quinazoline?
The IUPAC name of 5-(4-benzylpiperidin-1-yl)-7-chloro-3-(3-methylphenyl)triazolo[1,5-a]quinazoline (CID 16813284) is 5-(4-benzylpiperidin-1-yl)-7-chloro-3-(3-methylphenyl)triazolo[1,5-a]quinazoline.
What is the SMILES notation for 5-(4-benzylpiperidin-1-yl)-7-chloro-3-(3-methylphenyl)triazolo[1,5-a]quinazoline?
The canonical SMILES for 5-(4-benzylpiperidin-1-yl)-7-chloro-3-(3-methylphenyl)triazolo[1,5-a]quinazoline is Cc1cccc(-c2nnn3c2nc(N2CCC(Cc4ccccc4)CC2)c2cc(Cl)ccc23)c1.
What is the InChIKey of 5-(4-benzylpiperidin-1-yl)-7-chloro-3-(3-methylphenyl)triazolo[1,5-a]quinazoline?
The InChIKey is ALDKYMPMEBGHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN5/c1-19-6-5-9-22(16-19)26-28-30-27(24-18-23(29)10-11-25(24)34(28)32-31-26)33-14-12-21(13-15-33)17-20-7-3-2-4-8-20/h2-11,16,18,21H,12-15,17H2,1H3.
What are the key properties of 5-(4-benzylpiperidin-1-yl)-7-chloro-3-(3-methylphenyl)triazolo[1,5-a]quinazoline?
5-(4-benzylpiperidin-1-yl)-7-chloro-3-(3-methylphenyl)triazolo[1,5-a]quinazoline has a molecular weight of 468.00 g/mol, XLogP of 6.37, 4 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)-7-chloro-3-(3-methylphenyl)triazolo[1,5-a]quinazoline is sourced from PubChem (CID 16813284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).