3-ethyl-5-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline

C22H24N6O — CID 20927487

IUPAC3-ethyl-5-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline
SMILESCCc1nnc2c3ccccc3nc(N3CCN(c4ccc(OC)cc4)CC3)n12
InChIInChI=1S/C22H24N6O/c1-3-20-24-25-21-18-6-4-5-7-19(18)23-22(28(20)21)27-14-12-26(13-15-27)16-8-10-17(29-2)11-9-16/h4-11H,3,12-15H2,1-2H3
InChIKeyKNJPOUHQUIDNEC-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.18
Rot. Bonds4

About 3-ethyl-5-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline

3-ethyl-5-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline (PubChem CID 20927487) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 3-ethyl-5-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline.

Molecular Properties

Compound Name3-ethyl-5-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline
PubChem CID20927487
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name3-ethyl-5-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline
SMILESCCc1nnc2c3ccccc3nc(N3CCN(c4ccc(OC)cc4)CC3)n12
InChIInChI=1S/C22H24N6O/c1-3-20-24-25-21-18-6-4-5-7-19(18)23-22(28(20)21)27-14-12-26(13-15-27)16-8-10-17(29-2)11-9-16/h4-11H,3,12-15H2,1-2H3
InChIKeyKNJPOUHQUIDNEC-UHFFFAOYSA-N
XLogP3.18
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline
CID 20927489
[4-(3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 42864773
1-ethyl-4-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 20921368
2-(4-methoxyphenyl)-1-[4-[3-(2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]ethanone
CID 46064353
3-(4-methoxyphenyl)-5-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline
CID 42865011
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinoline
CID 4884632
1-[4-[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 46045173
3-phenyl-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]quinazoline
CID 46044977
(4-methoxyphenyl)-[4-[3-(2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl]methanone
CID 46064373
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 91963614
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylquinazolin-4-amine;hydrochloride
CID 52995635
4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)quinazoline
CID 155805514

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline?
The IUPAC name of 3-ethyl-5-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline (CID 20927487) is 3-ethyl-5-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline.
What is the SMILES notation for 3-ethyl-5-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline?
The canonical SMILES for 3-ethyl-5-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline is CCc1nnc2c3ccccc3nc(N3CCN(c4ccc(OC)cc4)CC3)n12.
What is the InChIKey of 3-ethyl-5-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline?
The InChIKey is KNJPOUHQUIDNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-3-20-24-25-21-18-6-4-5-7-19(18)23-22(28(20)21)27-14-12-26(13-15-27)16-8-10-17(29-2)11-9-16/h4-11H,3,12-15H2,1-2H3.
What are the key properties of 3-ethyl-5-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline?
3-ethyl-5-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline has a molecular weight of 388.48 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline is sourced from PubChem (CID 20927487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).