N-(4-morpholin-4-ylcyclohexyl)-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinazolin-4-amine

C22H25F3N6O — CID 130446851

IUPACN-(4-morpholin-4-ylcyclohexyl)-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinazolin-4-amine
SMILESFC(F)(F)c1[nH]ncc1-c1ccc2ncnc(NC3CCC(N4CCOCC4)CC3)c2c1
InChIInChI=1S/C22H25F3N6O/c23-22(24,25)20-18(12-28-30-20)14-1-6-19-17(11-14)21(27-13-26-19)29-15-2-4-16(5-3-15)31-7-9-32-10-8-31/h1,6,11-13,15-16H,2-5,7-10H2,(H,28,30)(H,26,27,29)
InChIKeyCQUNKWZUXDQQNW-UHFFFAOYSA-N
MW446.48 g/mol
LogP4.09
Rot. Bonds4

About N-(4-morpholin-4-ylcyclohexyl)-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinazolin-4-amine

N-(4-morpholin-4-ylcyclohexyl)-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinazolin-4-amine (PubChem CID 130446851) has the molecular formula C22H25F3N6O and a molecular weight of 446.48 g/mol. Its IUPAC name is N-(4-morpholin-4-ylcyclohexyl)-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylcyclohexyl)-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinazolin-4-amine
PubChem CID130446851
Molecular FormulaC22H25F3N6O
Molecular Weight446.48 g/mol
Exact Mass446.20
IUPAC NameN-(4-morpholin-4-ylcyclohexyl)-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinazolin-4-amine
SMILESFC(F)(F)c1[nH]ncc1-c1ccc2ncnc(NC3CCC(N4CCOCC4)CC3)c2c1
InChIInChI=1S/C22H25F3N6O/c23-22(24,25)20-18(12-28-30-20)14-1-6-19-17(11-14)21(27-13-26-19)29-15-2-4-16(5-3-15)31-7-9-32-10-8-31/h1,6,11-13,15-16H,2-5,7-10H2,(H,28,30)(H,26,27,29)
InChIKeyCQUNKWZUXDQQNW-UHFFFAOYSA-N
XLogP4.09
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylcyclohexyl)-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinazolin-4-amine?
The IUPAC name of N-(4-morpholin-4-ylcyclohexyl)-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinazolin-4-amine (CID 130446851) is N-(4-morpholin-4-ylcyclohexyl)-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinazolin-4-amine.
What is the SMILES notation for N-(4-morpholin-4-ylcyclohexyl)-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinazolin-4-amine?
The canonical SMILES for N-(4-morpholin-4-ylcyclohexyl)-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinazolin-4-amine is FC(F)(F)c1[nH]ncc1-c1ccc2ncnc(NC3CCC(N4CCOCC4)CC3)c2c1.
What is the InChIKey of N-(4-morpholin-4-ylcyclohexyl)-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinazolin-4-amine?
The InChIKey is CQUNKWZUXDQQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N6O/c23-22(24,25)20-18(12-28-30-20)14-1-6-19-17(11-14)21(27-13-26-19)29-15-2-4-16(5-3-15)31-7-9-32-10-8-31/h1,6,11-13,15-16H,2-5,7-10H2,(H,28,30)(H,26,27,29).
What are the key properties of N-(4-morpholin-4-ylcyclohexyl)-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinazolin-4-amine?
N-(4-morpholin-4-ylcyclohexyl)-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinazolin-4-amine has a molecular weight of 446.48 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylcyclohexyl)-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinazolin-4-amine is sourced from PubChem (CID 130446851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).