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

C46H58F6N10O2 — CID 118234875

IUPACN-(1-cyclohexylazetidin-3-yl)-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide;N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
SMILESO=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(C3CCCCC3)CC2)C1.O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCCCC2)C1
InChIInChI=1S/C26H34F3N5O.C20H24F3N5O/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;21-20(22,23)13-6-7-17-16(8-13)19(26-12-25-17)24-9-18(29)27-14-10-28(11-14)15-4-2-1-3-5-15/h8,11-12,16-18,20-21H,1-7,9-10,13-15H2,(H,33,35)(H,30,31,32);6-8,12,14-15H,1-5,9-11H2,(H,27,29)(H,24,25,26)
InChIKeyGIUBKYLPKCXEKW-UHFFFAOYSA-N
MW897.03 g/mol
LogP8.19
Rot. Bonds11

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

N-(1-cyclohexylazetidin-3-yl)-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide;N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide (PubChem CID 118234875) has the molecular formula C46H58F6N10O2 and a molecular weight of 897.03 g/mol. Its IUPAC name is N-(1-cyclohexylazetidin-3-yl)-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide;N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-(1-cyclohexylazetidin-3-yl)-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide;N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
PubChem CID118234875
Molecular FormulaC46H58F6N10O2
Molecular Weight897.03 g/mol
Exact Mass896.46
IUPAC NameN-(1-cyclohexylazetidin-3-yl)-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide;N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
SMILESO=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(C3CCCCC3)CC2)C1.O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCCCC2)C1
InChIInChI=1S/C26H34F3N5O.C20H24F3N5O/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;21-20(22,23)13-6-7-17-16(8-13)19(26-12-25-17)24-9-18(29)27-14-10-28(11-14)15-4-2-1-3-5-15/h8,11-12,16-18,20-21H,1-7,9-10,13-15H2,(H,33,35)(H,30,31,32);6-8,12,14-15H,1-5,9-11H2,(H,27,29)(H,24,25,26)
InChIKeyGIUBKYLPKCXEKW-UHFFFAOYSA-N
XLogP8.19
TPSA140.30 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.03
LogP ≤ 58.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze N-(1-cyclohexylazetidin-3-yl)-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide;N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylazetidin-3-yl)-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide;N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide?
The IUPAC name of N-(1-cyclohexylazetidin-3-yl)-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide;N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide (CID 118234875) is N-(1-cyclohexylazetidin-3-yl)-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide;N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide.
What is the SMILES notation for N-(1-cyclohexylazetidin-3-yl)-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide;N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide?
The canonical SMILES for N-(1-cyclohexylazetidin-3-yl)-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide;N-[1-(4-cyclohexylcyclohexyl)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.O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCCCC2)C1.
What is the InChIKey of N-(1-cyclohexylazetidin-3-yl)-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide;N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide?
The InChIKey is GIUBKYLPKCXEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F3N5O.C20H24F3N5O/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;21-20(22,23)13-6-7-17-16(8-13)19(26-12-25-17)24-9-18(29)27-14-10-28(11-14)15-4-2-1-3-5-15/h8,11-12,16-18,20-21H,1-7,9-10,13-15H2,(H,33,35)(H,30,31,32);6-8,12,14-15H,1-5,9-11H2,(H,27,29)(H,24,25,26).
What are the key properties of N-(1-cyclohexylazetidin-3-yl)-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide;N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide?
N-(1-cyclohexylazetidin-3-yl)-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide;N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide has a molecular weight of 897.03 g/mol, XLogP of 8.19, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylazetidin-3-yl)-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide;N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide is sourced from PubChem (CID 118234875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).