2-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]acetonitrile

C20H25N5O — CID 118475287

IUPAC2-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]acetonitrile
SMILESN#CCc1ccc2ncnc(NC3CCC(N4CCOCC4)CC3)c2c1
InChIInChI=1S/C20H25N5O/c21-8-7-15-1-6-19-18(13-15)20(23-14-22-19)24-16-2-4-17(5-3-16)25-9-11-26-12-10-25/h1,6,13-14,16-17H,2-5,7,9-12H2,(H,22,23,24)
InChIKeyYGPUMOULFUKEOQ-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.75
Rot. Bonds4

About 2-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]acetonitrile

2-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]acetonitrile (PubChem CID 118475287) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]acetonitrile
PubChem CID118475287
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name2-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]acetonitrile
SMILESN#CCc1ccc2ncnc(NC3CCC(N4CCOCC4)CC3)c2c1
InChIInChI=1S/C20H25N5O/c21-8-7-15-1-6-19-18(13-15)20(23-14-22-19)24-16-2-4-17(5-3-16)25-9-11-26-12-10-25/h1,6,13-14,16-17H,2-5,7,9-12H2,(H,22,23,24)
InChIKeyYGPUMOULFUKEOQ-UHFFFAOYSA-N
XLogP2.75
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]acetonitrile with MolForge

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Related Compounds

6-(methoxymethyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 118475288
6-butyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 121255036
2-[4-[[4-(4-ethylpiperazin-1-yl)cyclohexyl]amino]quinazolin-7-yl]acetonitrile
CID 162071956
6-ethenyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 118475339
6-(2-methoxyethenyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 123964283
3-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]cyclohex-3-en-1-one
CID 130236172
N-[4-(4,4-dimethylpiperidin-1-yl)cyclohexyl]-6-ethylquinazolin-4-amine
CID 118475354
6-(2-methyl-1H-imidazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 130446838
7-fluoro-6-methyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 121255066
5-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 140800582
4-[[4-[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]cyclohexyl]amino]quinazoline-6-carbonitrile
CID 130274675
4-[[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclohexyl]amino]quinazoline-6-carbonitrile
CID 130294950

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]acetonitrile?
The IUPAC name of 2-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]acetonitrile (CID 118475287) is 2-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]acetonitrile.
What is the SMILES notation for 2-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]acetonitrile?
The canonical SMILES for 2-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]acetonitrile is N#CCc1ccc2ncnc(NC3CCC(N4CCOCC4)CC3)c2c1.
What is the InChIKey of 2-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]acetonitrile?
The InChIKey is YGPUMOULFUKEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c21-8-7-15-1-6-19-18(13-15)20(23-14-22-19)24-16-2-4-17(5-3-16)25-9-11-26-12-10-25/h1,6,13-14,16-17H,2-5,7,9-12H2,(H,22,23,24).
What are the key properties of 2-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]acetonitrile?
2-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]acetonitrile has a molecular weight of 351.45 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]acetonitrile is sourced from PubChem (CID 118475287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).