N-(4-morpholin-4-ylcyclohexyl)-6-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine

C24H26F3N5O — CID 130446803

IUPACN-(4-morpholin-4-ylcyclohexyl)-6-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine
SMILESFC(F)(F)c1cncc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)c1
InChIInChI=1S/C24H26F3N5O/c25-24(26,27)18-11-17(13-28-14-18)16-1-6-22-21(12-16)23(30-15-29-22)31-19-2-4-20(5-3-19)32-7-9-33-10-8-32/h1,6,11-15,19-20H,2-5,7-10H2,(H,29,30,31)
InChIKeyLNXZCERQRHOHSK-UHFFFAOYSA-N
MW457.50 g/mol
LogP4.77
Rot. Bonds4

About N-(4-morpholin-4-ylcyclohexyl)-6-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine

N-(4-morpholin-4-ylcyclohexyl)-6-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine (PubChem CID 130446803) has the molecular formula C24H26F3N5O and a molecular weight of 457.50 g/mol. Its IUPAC name is N-(4-morpholin-4-ylcyclohexyl)-6-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylcyclohexyl)-6-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine
PubChem CID130446803
Molecular FormulaC24H26F3N5O
Molecular Weight457.50 g/mol
Exact Mass457.21
IUPAC NameN-(4-morpholin-4-ylcyclohexyl)-6-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine
SMILESFC(F)(F)c1cncc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)c1
InChIInChI=1S/C24H26F3N5O/c25-24(26,27)18-11-17(13-28-14-18)16-1-6-22-21(12-16)23(30-15-29-22)31-19-2-4-20(5-3-19)32-7-9-33-10-8-32/h1,6,11-15,19-20H,2-5,7-10H2,(H,29,30,31)
InChIKeyLNXZCERQRHOHSK-UHFFFAOYSA-N
XLogP4.77
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.50
LogP ≤ 54.77
H-Bond Donors ≤ 51
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)-3-pyridinyl]quinazolin-4-amine?
The IUPAC name of N-(4-morpholin-4-ylcyclohexyl)-6-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine (CID 130446803) is N-(4-morpholin-4-ylcyclohexyl)-6-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for N-(4-morpholin-4-ylcyclohexyl)-6-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine?
The canonical SMILES for N-(4-morpholin-4-ylcyclohexyl)-6-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine is FC(F)(F)c1cncc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)c1.
What is the InChIKey of N-(4-morpholin-4-ylcyclohexyl)-6-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine?
The InChIKey is LNXZCERQRHOHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O/c25-24(26,27)18-11-17(13-28-14-18)16-1-6-22-21(12-16)23(30-15-29-22)31-19-2-4-20(5-3-19)32-7-9-33-10-8-32/h1,6,11-15,19-20H,2-5,7-10H2,(H,29,30,31).
What are the key properties of N-(4-morpholin-4-ylcyclohexyl)-6-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine?
N-(4-morpholin-4-ylcyclohexyl)-6-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine has a molecular weight of 457.50 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 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)-3-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 130446803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).