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

C25H32F3N5O — CID 54771063

IUPACN-[1-(4-cyclopentylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
SMILESO=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(C3CCCC3)CC2)C1
InChIInChI=1S/C25H32F3N5O/c26-25(27,28)18-7-10-22-21(11-18)24(31-15-30-22)29-12-23(34)32-19-13-33(14-19)20-8-5-17(6-9-20)16-3-1-2-4-16/h7,10-11,15-17,19-20H,1-6,8-9,12-14H2,(H,32,34)(H,29,30,31)
InChIKeyRRTPMDNEBIXFSP-UHFFFAOYSA-N
MW475.56 g/mol
LogP4.61
Rot. Bonds6

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

N-[1-(4-cyclopentylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide (PubChem CID 54771063) has the molecular formula C25H32F3N5O and a molecular weight of 475.56 g/mol. Its IUPAC name is N-[1-(4-cyclopentylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-[1-(4-cyclopentylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
PubChem CID54771063
Molecular FormulaC25H32F3N5O
Molecular Weight475.56 g/mol
Exact Mass475.26
IUPAC NameN-[1-(4-cyclopentylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
SMILESO=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(C3CCCC3)CC2)C1
InChIInChI=1S/C25H32F3N5O/c26-25(27,28)18-7-10-22-21(11-18)24(31-15-30-22)29-12-23(34)32-19-13-33(14-19)20-8-5-17(6-9-20)16-3-1-2-4-16/h7,10-11,15-17,19-20H,1-6,8-9,12-14H2,(H,32,34)(H,29,30,31)
InChIKeyRRTPMDNEBIXFSP-UHFFFAOYSA-N
XLogP4.61
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.56
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclopentylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide?
The IUPAC name of N-[1-(4-cyclopentylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide (CID 54771063) is N-[1-(4-cyclopentylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide.
What is the SMILES notation for N-[1-(4-cyclopentylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide?
The canonical SMILES for N-[1-(4-cyclopentylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide is O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(C3CCCC3)CC2)C1.
What is the InChIKey of N-[1-(4-cyclopentylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide?
The InChIKey is RRTPMDNEBIXFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N5O/c26-25(27,28)18-7-10-22-21(11-18)24(31-15-30-22)29-12-23(34)32-19-13-33(14-19)20-8-5-17(6-9-20)16-3-1-2-4-16/h7,10-11,15-17,19-20H,1-6,8-9,12-14H2,(H,32,34)(H,29,30,31).
What are the key properties of N-[1-(4-cyclopentylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide?
N-[1-(4-cyclopentylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide has a molecular weight of 475.56 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclopentylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide is sourced from PubChem (CID 54771063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).