(4-ethylphenyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]methanone

C23H24N6O — CID 56575191

IUPAC(4-ethylphenyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(c3nc4ccccc4c4nc(C)nn34)CC2)cc1
InChIInChI=1S/C23H24N6O/c1-3-17-8-10-18(11-9-17)22(30)27-12-14-28(15-13-27)23-25-20-7-5-4-6-19(20)21-24-16(2)26-29(21)23/h4-11H,3,12-15H2,1-2H3
InChIKeyHMXROQHVLODBSA-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.11
Rot. Bonds3

About (4-ethylphenyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]methanone

(4-ethylphenyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]methanone (PubChem CID 56575191) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is (4-ethylphenyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]methanone
PubChem CID56575191
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name(4-ethylphenyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(c3nc4ccccc4c4nc(C)nn34)CC2)cc1
InChIInChI=1S/C23H24N6O/c1-3-17-8-10-18(11-9-17)22(30)27-12-14-28(15-13-27)23-25-20-7-5-4-6-19(20)21-24-16(2)26-29(21)23/h4-11H,3,12-15H2,1-2H3
InChIKeyHMXROQHVLODBSA-UHFFFAOYSA-N
XLogP3.11
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-fluoro-4-methylphenyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]methanone
CID 56574130
5-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 56575856
1-[3-fluoro-4-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]phenyl]ethanone
CID 56553992
3-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]propan-1-ol
CID 56788030
[4-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl]-phenylmethanone
CID 46045008
(4-ethoxyphenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765053
5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 27791941
[4-(3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 42864773
(4-ethylphenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699890
[4-(3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 42864767
(4,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 66499434
1-(4-benzoylpiperazin-1-yl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propan-1-one
CID 17482204

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-ethylphenyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]methanone (CID 56575191) is (4-ethylphenyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethylphenyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-ethylphenyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]methanone is CCc1ccc(C(=O)N2CCN(c3nc4ccccc4c4nc(C)nn34)CC2)cc1.
What is the InChIKey of (4-ethylphenyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]methanone?
The InChIKey is HMXROQHVLODBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-3-17-8-10-18(11-9-17)22(30)27-12-14-28(15-13-27)23-25-20-7-5-4-6-19(20)21-24-16(2)26-29(21)23/h4-11H,3,12-15H2,1-2H3.
What are the key properties of (4-ethylphenyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]methanone?
(4-ethylphenyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]methanone has a molecular weight of 400.49 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 56575191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).