4-[[4-[4-(2-methoxyacetyl)piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile

C22H28N6O2 — CID 130274785

IUPAC4-[[4-[4-(2-methoxyacetyl)piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile
SMILESCOCC(=O)N1CCN(C2CCC(Nc3ncnc4ccc(C#N)cc34)CC2)CC1
InChIInChI=1S/C22H28N6O2/c1-30-14-21(29)28-10-8-27(9-11-28)18-5-3-17(4-6-18)26-22-19-12-16(13-23)2-7-20(19)24-15-25-22/h2,7,12,15,17-18H,3-6,8-11,14H2,1H3,(H,24,25,26)
InChIKeyHQZAWNPWRFQBQP-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.02
Rot. Bonds5

About 4-[[4-[4-(2-methoxyacetyl)piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile

4-[[4-[4-(2-methoxyacetyl)piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile (PubChem CID 130274785) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 4-[[4-[4-(2-methoxyacetyl)piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile.

Molecular Properties

Compound Name4-[[4-[4-(2-methoxyacetyl)piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile
PubChem CID130274785
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name4-[[4-[4-(2-methoxyacetyl)piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile
SMILESCOCC(=O)N1CCN(C2CCC(Nc3ncnc4ccc(C#N)cc34)CC2)CC1
InChIInChI=1S/C22H28N6O2/c1-30-14-21(29)28-10-8-27(9-11-28)18-5-3-17(4-6-18)26-22-19-12-16(13-23)2-7-20(19)24-15-25-22/h2,7,12,15,17-18H,3-6,8-11,14H2,1H3,(H,24,25,26)
InChIKeyHQZAWNPWRFQBQP-UHFFFAOYSA-N
XLogP2.02
TPSA94.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[4-[4-(2-methoxyacetyl)piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile with MolForge

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Related Compounds

4-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile
CID 121261640
4-[[4-[4-(2-cyclopropyl-2-hydroxyacetyl)piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile
CID 121255049
4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]quinazoline-6-carbonitrile
CID 130274767
4-[[4-[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexyl]amino]quinazoline-6-carbonitrile
CID 130274675
4-[(4-aminocyclohexyl)amino]quinazoline-6-carbonitrile
CID 121262387
3-methoxy-1-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 133377450
4-[[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclohexyl]amino]quinazoline-6-carbonitrile
CID 130294950
6-(methoxymethyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 118475288
4-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]quinazoline-4,6-diamine
CID 146237654
2-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]acetonitrile
CID 118475287
4-[[4-[4-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile;methane
CID 159462945
6-(2-methoxyethenyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 123964283

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(2-methoxyacetyl)piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile?
The IUPAC name of 4-[[4-[4-(2-methoxyacetyl)piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile (CID 130274785) is 4-[[4-[4-(2-methoxyacetyl)piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile.
What is the SMILES notation for 4-[[4-[4-(2-methoxyacetyl)piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile?
The canonical SMILES for 4-[[4-[4-(2-methoxyacetyl)piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile is COCC(=O)N1CCN(C2CCC(Nc3ncnc4ccc(C#N)cc34)CC2)CC1.
What is the InChIKey of 4-[[4-[4-(2-methoxyacetyl)piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile?
The InChIKey is HQZAWNPWRFQBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-30-14-21(29)28-10-8-27(9-11-28)18-5-3-17(4-6-18)26-22-19-12-16(13-23)2-7-20(19)24-15-25-22/h2,7,12,15,17-18H,3-6,8-11,14H2,1H3,(H,24,25,26).
What are the key properties of 4-[[4-[4-(2-methoxyacetyl)piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile?
4-[[4-[4-(2-methoxyacetyl)piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile has a molecular weight of 408.51 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(2-methoxyacetyl)piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile is sourced from PubChem (CID 130274785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).