cyclohexyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone

C21H28N4O3 — CID 72722510

IUPACcyclohexyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
SMILESCOc1cc2ncnc(N3CCN(C(=O)C4CCCCC4)CC3)c2cc1OC
InChIInChI=1S/C21H28N4O3/c1-27-18-12-16-17(13-19(18)28-2)22-14-23-20(16)24-8-10-25(11-9-24)21(26)15-6-4-3-5-7-15/h12-15H,3-11H2,1-2H3
InChIKeyBLLPIADCACTZIE-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.88
Rot. Bonds4

About cyclohexyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone

cyclohexyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone (PubChem CID 72722510) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is cyclohexyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
PubChem CID72722510
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Namecyclohexyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
SMILESCOc1cc2ncnc(N3CCN(C(=O)C4CCCCC4)CC3)c2cc1OC
InChIInChI=1S/C21H28N4O3/c1-27-18-12-16-17(13-19(18)28-2)22-14-23-20(16)24-8-10-25(11-9-24)21(26)15-6-4-3-5-7-15/h12-15H,3-11H2,1-2H3
InChIKeyBLLPIADCACTZIE-UHFFFAOYSA-N
XLogP2.88
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 171691630
N-cyclohexyl-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707685
4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 86756553
2-amino-1-[4-(6,7-dimethoxyquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 156824002
4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707631
N-(4-aminophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707383
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
N-cyclopropyl-1-(6,7-dimethoxyquinazolin-4-yl)piperidine-3-carboxamide
CID 165435283
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 11015336
6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline
CID 167049154
4-(7-bromo-6-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 155267479

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone (CID 72722510) is cyclohexyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone is COc1cc2ncnc(N3CCN(C(=O)C4CCCCC4)CC3)c2cc1OC.
What is the InChIKey of cyclohexyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone?
The InChIKey is BLLPIADCACTZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-27-18-12-16-17(13-19(18)28-2)22-14-23-20(16)24-8-10-25(11-9-24)21(26)15-6-4-3-5-7-15/h12-15H,3-11H2,1-2H3.
What are the key properties of cyclohexyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone?
cyclohexyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone has a molecular weight of 384.48 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 72722510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).