(2-chlorophenyl)-[2-methyl-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone

C24H25ClN6O — CID 42864853

IUPAC(2-chlorophenyl)-[2-methyl-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone
SMILESCC(C)c1nnc2c3ccccc3nc(N3CCN(C(=O)c4ccccc4Cl)C(C)C3)n12
InChIInChI=1S/C24H25ClN6O/c1-15(2)21-27-28-22-18-9-5-7-11-20(18)26-24(31(21)22)29-12-13-30(16(3)14-29)23(32)17-8-4-6-10-19(17)25/h4-11,15-16H,12-14H2,1-3H3
InChIKeyBRKCSFBSPCFMRD-UHFFFAOYSA-N
MW448.96 g/mol
LogP4.41
Rot. Bonds3

About (2-chlorophenyl)-[2-methyl-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone

(2-chlorophenyl)-[2-methyl-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone (PubChem CID 42864853) has the molecular formula C24H25ClN6O and a molecular weight of 448.96 g/mol. Its IUPAC name is (2-chlorophenyl)-[2-methyl-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[2-methyl-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone
PubChem CID42864853
Molecular FormulaC24H25ClN6O
Molecular Weight448.96 g/mol
Exact Mass448.18
IUPAC Name(2-chlorophenyl)-[2-methyl-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone
SMILESCC(C)c1nnc2c3ccccc3nc(N3CCN(C(=O)c4ccccc4Cl)C(C)C3)n12
InChIInChI=1S/C24H25ClN6O/c1-15(2)21-27-28-22-18-9-5-7-11-20(18)26-24(31(21)22)29-12-13-30(16(3)14-29)23(32)17-8-4-6-10-19(17)25/h4-11,15-16H,12-14H2,1-3H3
InChIKeyBRKCSFBSPCFMRD-UHFFFAOYSA-N
XLogP4.41
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.96
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-methyl-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]-phenylmethanone
CID 92993815
[4-(3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-2-methylpiperazin-1-yl]-(2-chlorophenyl)methanone
CID 46063991
2-methoxy-1-[(2S)-2-methyl-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]ethanone
CID 92993829
(2S)-1-[(2R)-2-methyl-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]-2-phenylbutan-1-one
CID 129428667
(2R)-1-[(2R)-2-methyl-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]-2-phenylbutan-1-one
CID 129428668
N-benzyl-2-methyl-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazine-1-carboxamide
CID 42864970
2-methyl-1-[(2R)-2-methyl-4-(3-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]propan-1-one
CID 92994057
2-methyl-1-[2-methyl-4-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]propan-1-one
CID 46064111
[(2R)-4-[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 92994088
[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-2-methylpiperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 42864925
cyclopentyl-[(2R)-2-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone
CID 92993144
[(2R)-2-methyl-4-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]-phenylmethanone
CID 92993910

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[2-methyl-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[2-methyl-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone (CID 42864853) is (2-chlorophenyl)-[2-methyl-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[2-methyl-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[2-methyl-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone is CC(C)c1nnc2c3ccccc3nc(N3CCN(C(=O)c4ccccc4Cl)C(C)C3)n12.
What is the InChIKey of (2-chlorophenyl)-[2-methyl-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone?
The InChIKey is BRKCSFBSPCFMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O/c1-15(2)21-27-28-22-18-9-5-7-11-20(18)26-24(31(21)22)29-12-13-30(16(3)14-29)23(32)17-8-4-6-10-19(17)25/h4-11,15-16H,12-14H2,1-3H3.
What are the key properties of (2-chlorophenyl)-[2-methyl-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone?
(2-chlorophenyl)-[2-methyl-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone has a molecular weight of 448.96 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[2-methyl-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 42864853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).