N-[1-(4-phenylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide

C26H28F3N5O — CID 54769305

IUPACN-[1-(4-phenylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
SMILESO=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C26H28F3N5O/c27-26(28,29)19-8-11-23-22(12-19)25(32-16-31-23)30-13-24(35)33-20-14-34(15-20)21-9-6-18(7-10-21)17-4-2-1-3-5-17/h1-5,8,11-12,16,18,20-21H,6-7,9-10,13-15H2,(H,33,35)(H,30,31,32)
InChIKeyLRKGQBKBMALHOE-UHFFFAOYSA-N
MW483.54 g/mol
LogP4.59
Rot. Bonds6

About N-[1-(4-phenylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide

N-[1-(4-phenylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide (PubChem CID 54769305) has the molecular formula C26H28F3N5O and a molecular weight of 483.54 g/mol. Its IUPAC name is N-[1-(4-phenylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-[1-(4-phenylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
PubChem CID54769305
Molecular FormulaC26H28F3N5O
Molecular Weight483.54 g/mol
Exact Mass483.22
IUPAC NameN-[1-(4-phenylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
SMILESO=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C26H28F3N5O/c27-26(28,29)19-8-11-23-22(12-19)25(32-16-31-23)30-13-24(35)33-20-14-34(15-20)21-9-6-18(7-10-21)17-4-2-1-3-5-17/h1-5,8,11-12,16,18,20-21H,6-7,9-10,13-15H2,(H,33,35)(H,30,31,32)
InChIKeyLRKGQBKBMALHOE-UHFFFAOYSA-N
XLogP4.59
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.54
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-phenylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide?
The IUPAC name of N-[1-(4-phenylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide (CID 54769305) is N-[1-(4-phenylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide.
What is the SMILES notation for N-[1-(4-phenylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide?
The canonical SMILES for N-[1-(4-phenylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide is O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(c3ccccc3)CC2)C1.
What is the InChIKey of N-[1-(4-phenylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide?
The InChIKey is LRKGQBKBMALHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N5O/c27-26(28,29)19-8-11-23-22(12-19)25(32-16-31-23)30-13-24(35)33-20-14-34(15-20)21-9-6-18(7-10-21)17-4-2-1-3-5-17/h1-5,8,11-12,16,18,20-21H,6-7,9-10,13-15H2,(H,33,35)(H,30,31,32).
What are the key properties of N-[1-(4-phenylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide?
N-[1-(4-phenylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide has a molecular weight of 483.54 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-phenylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide is sourced from PubChem (CID 54769305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).