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

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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).