4-[(4-morpholin-4-ylcyclohexyl)amino]quinazoline-6-carbonitrile

C19H23N5O — CID 118475349

IUPAC4-[(4-morpholin-4-ylcyclohexyl)amino]quinazoline-6-carbonitrile
SMILESN#Cc1ccc2ncnc(NC3CCC(N4CCOCC4)CC3)c2c1
InChIInChI=1S/C19H23N5O/c20-12-14-1-6-18-17(11-14)19(22-13-21-18)23-15-2-4-16(5-3-15)24-7-9-25-10-8-24/h1,6,11,13,15-16H,2-5,7-10H2,(H,21,22,23)
InChIKeyHVQXFGHHSFTACS-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.56
Rot. Bonds3

About 4-[(4-morpholin-4-ylcyclohexyl)amino]quinazoline-6-carbonitrile

4-[(4-morpholin-4-ylcyclohexyl)amino]quinazoline-6-carbonitrile (PubChem CID 118475349) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 4-[(4-morpholin-4-ylcyclohexyl)amino]quinazoline-6-carbonitrile.

Molecular Properties

Compound Name4-[(4-morpholin-4-ylcyclohexyl)amino]quinazoline-6-carbonitrile
PubChem CID118475349
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name4-[(4-morpholin-4-ylcyclohexyl)amino]quinazoline-6-carbonitrile
SMILESN#Cc1ccc2ncnc(NC3CCC(N4CCOCC4)CC3)c2c1
InChIInChI=1S/C19H23N5O/c20-12-14-1-6-18-17(11-14)19(22-13-21-18)23-15-2-4-16(5-3-15)24-7-9-25-10-8-24/h1,6,11,13,15-16H,2-5,7-10H2,(H,21,22,23)
InChIKeyHVQXFGHHSFTACS-UHFFFAOYSA-N
XLogP2.56
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-morpholin-4-ylcyclohexyl)amino]quinazoline-6-carbonitrile?
The IUPAC name of 4-[(4-morpholin-4-ylcyclohexyl)amino]quinazoline-6-carbonitrile (CID 118475349) is 4-[(4-morpholin-4-ylcyclohexyl)amino]quinazoline-6-carbonitrile.
What is the SMILES notation for 4-[(4-morpholin-4-ylcyclohexyl)amino]quinazoline-6-carbonitrile?
The canonical SMILES for 4-[(4-morpholin-4-ylcyclohexyl)amino]quinazoline-6-carbonitrile is N#Cc1ccc2ncnc(NC3CCC(N4CCOCC4)CC3)c2c1.
What is the InChIKey of 4-[(4-morpholin-4-ylcyclohexyl)amino]quinazoline-6-carbonitrile?
The InChIKey is HVQXFGHHSFTACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c20-12-14-1-6-18-17(11-14)19(22-13-21-18)23-15-2-4-16(5-3-15)24-7-9-25-10-8-24/h1,6,11,13,15-16H,2-5,7-10H2,(H,21,22,23).
What are the key properties of 4-[(4-morpholin-4-ylcyclohexyl)amino]quinazoline-6-carbonitrile?
4-[(4-morpholin-4-ylcyclohexyl)amino]quinazoline-6-carbonitrile has a molecular weight of 337.43 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-morpholin-4-ylcyclohexyl)amino]quinazoline-6-carbonitrile is sourced from PubChem (CID 118475349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).