2-[4-[[4-(4-ethylpiperazin-1-yl)cyclohexyl]amino]quinazolin-7-yl]acetonitrile

C22H30N6 — CID 162071956

IUPAC2-[4-[[4-(4-ethylpiperazin-1-yl)cyclohexyl]amino]quinazolin-7-yl]acetonitrile
SMILESCCN1CCN(C2CCC(Nc3ncnc4cc(CC#N)ccc34)CC2)CC1
InChIInChI=1S/C22H30N6/c1-2-27-11-13-28(14-12-27)19-6-4-18(5-7-19)26-22-20-8-3-17(9-10-23)15-21(20)24-16-25-22/h3,8,15-16,18-19H,2,4-7,9,11-14H2,1H3,(H,24,25,26)
InChIKeyZBFANSFJSGLBLS-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.06
Rot. Bonds5

About 2-[4-[[4-(4-ethylpiperazin-1-yl)cyclohexyl]amino]quinazolin-7-yl]acetonitrile

2-[4-[[4-(4-ethylpiperazin-1-yl)cyclohexyl]amino]quinazolin-7-yl]acetonitrile (PubChem CID 162071956) has the molecular formula C22H30N6 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-[4-[[4-(4-ethylpiperazin-1-yl)cyclohexyl]amino]quinazolin-7-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-[[4-(4-ethylpiperazin-1-yl)cyclohexyl]amino]quinazolin-7-yl]acetonitrile
PubChem CID162071956
Molecular FormulaC22H30N6
Molecular Weight378.52 g/mol
Exact Mass378.25
IUPAC Name2-[4-[[4-(4-ethylpiperazin-1-yl)cyclohexyl]amino]quinazolin-7-yl]acetonitrile
SMILESCCN1CCN(C2CCC(Nc3ncnc4cc(CC#N)ccc34)CC2)CC1
InChIInChI=1S/C22H30N6/c1-2-27-11-13-28(14-12-27)19-6-4-18(5-7-19)26-22-20-8-3-17(9-10-23)15-21(20)24-16-25-22/h3,8,15-16,18-19H,2,4-7,9,11-14H2,1H3,(H,24,25,26)
InChIKeyZBFANSFJSGLBLS-UHFFFAOYSA-N
XLogP3.06
TPSA68.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[4-(4-ethylpiperazin-1-yl)cyclohexyl]amino]quinazolin-7-yl]acetonitrile with MolForge

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Related Compounds

2-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]acetonitrile
CID 118475287
N-[4-(4,4-dimethylpiperidin-1-yl)cyclohexyl]-6-ethylquinazolin-4-amine
CID 118475354
6-butyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 121255036
4-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]quinazoline-4,6-diamine
CID 146237654
6-(methoxymethyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 118475288
2-[4-[[4-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]piperazin-1-yl]cyclohexyl]amino]quinazolin-7-yl]acetonitrile
CID 166733819
4-[[4-[4-(2-methoxyacetyl)piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile
CID 130274785
4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]quinazoline-6-carbonitrile
CID 130274767
4-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile
CID 121261640
N-[4-(3-fluoroazetidin-1-yl)cyclohexyl]-6-methylquinazolin-4-amine
CID 121255023
4-[[4-[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexyl]amino]quinazoline-6-carbonitrile
CID 130274675
N-[4-(6-azaspiro[2.5]octan-6-yl)cyclohexyl]-6-bromoquinazolin-4-amine
CID 118475382

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(4-ethylpiperazin-1-yl)cyclohexyl]amino]quinazolin-7-yl]acetonitrile?
The IUPAC name of 2-[4-[[4-(4-ethylpiperazin-1-yl)cyclohexyl]amino]quinazolin-7-yl]acetonitrile (CID 162071956) is 2-[4-[[4-(4-ethylpiperazin-1-yl)cyclohexyl]amino]quinazolin-7-yl]acetonitrile.
What is the SMILES notation for 2-[4-[[4-(4-ethylpiperazin-1-yl)cyclohexyl]amino]quinazolin-7-yl]acetonitrile?
The canonical SMILES for 2-[4-[[4-(4-ethylpiperazin-1-yl)cyclohexyl]amino]quinazolin-7-yl]acetonitrile is CCN1CCN(C2CCC(Nc3ncnc4cc(CC#N)ccc34)CC2)CC1.
What is the InChIKey of 2-[4-[[4-(4-ethylpiperazin-1-yl)cyclohexyl]amino]quinazolin-7-yl]acetonitrile?
The InChIKey is ZBFANSFJSGLBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6/c1-2-27-11-13-28(14-12-27)19-6-4-18(5-7-19)26-22-20-8-3-17(9-10-23)15-21(20)24-16-25-22/h3,8,15-16,18-19H,2,4-7,9,11-14H2,1H3,(H,24,25,26).
What are the key properties of 2-[4-[[4-(4-ethylpiperazin-1-yl)cyclohexyl]amino]quinazolin-7-yl]acetonitrile?
2-[4-[[4-(4-ethylpiperazin-1-yl)cyclohexyl]amino]quinazolin-7-yl]acetonitrile has a molecular weight of 378.52 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(4-ethylpiperazin-1-yl)cyclohexyl]amino]quinazolin-7-yl]acetonitrile is sourced from PubChem (CID 162071956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).