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

C18H22N4O3 — CID 171691630

IUPACcyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
SMILESCOc1cc2ncnc(N3CCN(C(=O)C4CC4)CC3)c2cc1OC
InChIInChI=1S/C18H22N4O3/c1-24-15-9-13-14(10-16(15)25-2)19-11-20-17(13)21-5-7-22(8-6-21)18(23)12-3-4-12/h9-12H,3-8H2,1-2H3
InChIKeyFLXOCJSFRKNFCH-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.71
Rot. Bonds4

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

cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone (PubChem CID 171691630) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
PubChem CID171691630
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Namecyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
SMILESCOc1cc2ncnc(N3CCN(C(=O)C4CC4)CC3)c2cc1OC
InChIInChI=1S/C18H22N4O3/c1-24-15-9-13-14(10-16(15)25-2)19-11-20-17(13)21-5-7-22(8-6-21)18(23)12-3-4-12/h9-12H,3-8H2,1-2H3
InChIKeyFLXOCJSFRKNFCH-UHFFFAOYSA-N
XLogP1.71
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

cyclohexyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 72722510
4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 86756553
N-cyclohexyl-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707685
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
2-amino-1-[4-(6,7-dimethoxyquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 156824002
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
cyclopropyl-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone
CID 126896004
4-(7-bromo-6-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 155267479

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone (CID 171691630) is cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone is COc1cc2ncnc(N3CCN(C(=O)C4CC4)CC3)c2cc1OC.
What is the InChIKey of cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone?
The InChIKey is FLXOCJSFRKNFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-24-15-9-13-14(10-16(15)25-2)19-11-20-17(13)21-5-7-22(8-6-21)18(23)12-3-4-12/h9-12H,3-8H2,1-2H3.
What are the key properties of cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone?
cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone has a molecular weight of 342.40 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 171691630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).