[4-(3-cyclohexyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone

C26H30N6O2 — CID 42864763

IUPAC[4-(3-cyclohexyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1ccc2nc(N3CCN(C(=O)c4ccco4)C(C)C3)n3c(C4CCCCC4)nnc3c2c1
InChIInChI=1S/C26H30N6O2/c1-17-10-11-21-20(15-17)24-29-28-23(19-7-4-3-5-8-19)32(24)26(27-21)30-12-13-31(18(2)16-30)25(33)22-9-6-14-34-22/h6,9-11,14-15,18-19H,3-5,7-8,12-13,16H2,1-2H3
InChIKeySKSQJWSWRSLUKH-UHFFFAOYSA-N
MW458.57 g/mol
LogP4.58
Rot. Bonds3

About [4-(3-cyclohexyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone

[4-(3-cyclohexyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 42864763) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is [4-(3-cyclohexyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-cyclohexyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone
PubChem CID42864763
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name[4-(3-cyclohexyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1ccc2nc(N3CCN(C(=O)c4ccco4)C(C)C3)n3c(C4CCCCC4)nnc3c2c1
InChIInChI=1S/C26H30N6O2/c1-17-10-11-21-20(15-17)24-29-28-23(19-7-4-3-5-8-19)32(24)26(27-21)30-12-13-31(18(2)16-30)25(33)22-9-6-14-34-22/h6,9-11,14-15,18-19H,3-5,7-8,12-13,16H2,1-2H3
InChIKeySKSQJWSWRSLUKH-UHFFFAOYSA-N
XLogP4.58
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-(3-cyclohexyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone with MolForge

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Related Compounds

[(2S)-4-(3-cyclohexyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-2-methylpiperazin-1-yl]-(3-fluorophenyl)methanone
CID 92993067
[4-(3-cyclohexyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 42864758
1-[(2R)-4-(8-chloro-3-cyclohexyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-2-methylpiperazin-1-yl]-2-methylpropan-1-one
CID 92993020
cyclobutyl-[4-(3-cyclohexyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone
CID 46063935
[(2R)-4-(8-chloro-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone
CID 92992969
[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 42852416
[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-2-methylpiperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 42864925
3-cyclohexyl-5-(1,4-diazepan-1-yl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazoline
CID 42864326
[(2R)-2-methyl-4-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]-phenylmethanone
CID 92993910
[4-(8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone
CID 141356742
cyclopentyl-[(2R)-2-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone
CID 92993144
(2,6-difluorophenyl)-[4-[3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methylpiperazin-1-yl]methanone
CID 46164497

Frequently Asked Questions

What is the IUPAC name of [4-(3-cyclohexyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(3-cyclohexyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone (CID 42864763) is [4-(3-cyclohexyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(3-cyclohexyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(3-cyclohexyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone is Cc1ccc2nc(N3CCN(C(=O)c4ccco4)C(C)C3)n3c(C4CCCCC4)nnc3c2c1.
What is the InChIKey of [4-(3-cyclohexyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is SKSQJWSWRSLUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-17-10-11-21-20(15-17)24-29-28-23(19-7-4-3-5-8-19)32(24)26(27-21)30-12-13-31(18(2)16-30)25(33)22-9-6-14-34-22/h6,9-11,14-15,18-19H,3-5,7-8,12-13,16H2,1-2H3.
What are the key properties of [4-(3-cyclohexyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone?
[4-(3-cyclohexyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 458.57 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-cyclohexyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 42864763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).