N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-2-(trifluoromethoxy)benzamide

C25H28F3N5O2 — CID 10228060

IUPACN-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-2-(trifluoromethoxy)benzamide
SMILESCN(C)c1nc(NC2CCC(CNC(=O)c3ccccc3OC(F)(F)F)CC2)nc2ccccc12
InChIInChI=1S/C25H28F3N5O2/c1-33(2)22-18-7-3-5-9-20(18)31-24(32-22)30-17-13-11-16(12-14-17)15-29-23(34)19-8-4-6-10-21(19)35-25(26,27)28/h3-10,16-17H,11-15H2,1-2H3,(H,29,34)(H,30,31,32)
InChIKeyGZKQFBFBLRQKEM-UHFFFAOYSA-N
MW487.53 g/mol
LogP5.00
Rot. Bonds7

About N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-2-(trifluoromethoxy)benzamide

N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-2-(trifluoromethoxy)benzamide (PubChem CID 10228060) has the molecular formula C25H28F3N5O2 and a molecular weight of 487.53 g/mol. Its IUPAC name is N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-2-(trifluoromethoxy)benzamide
PubChem CID10228060
Molecular FormulaC25H28F3N5O2
Molecular Weight487.53 g/mol
Exact Mass487.22
IUPAC NameN-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-2-(trifluoromethoxy)benzamide
SMILESCN(C)c1nc(NC2CCC(CNC(=O)c3ccccc3OC(F)(F)F)CC2)nc2ccccc12
InChIInChI=1S/C25H28F3N5O2/c1-33(2)22-18-7-3-5-9-20(18)31-24(32-22)30-17-13-11-16(12-14-17)15-29-23(34)19-8-4-6-10-21(19)35-25(26,27)28/h3-10,16-17H,11-15H2,1-2H3,(H,29,34)(H,30,31,32)
InChIKeyGZKQFBFBLRQKEM-UHFFFAOYSA-N
XLogP5.00
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.53
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-2-[2-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 68847499
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-2,3,4,5-tetrafluorobenzamide;2,2,2-trifluoroacetic acid
CID 157295815
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]quinoline-3-carboxamide;methane
CID 157175522
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-4-hydroxy-3-methoxybenzamide;2,2,2-trifluoroacetic acid
CID 157166205
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-4-fluoro-3-methylbenzamide
CID 10296688
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-4-fluoro-3-(trifluoromethyl)benzamide;2,2,2-trifluoroacetic acid
CID 158022606
1-benzhydryl-3-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]urea
CID 69473453
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]nonanamide
CID 142230266
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-2-methoxy-2-phenylacetamide;2,2,2-trifluoroacetic acid
CID 162309203
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 162337569
1-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-3-[(2-fluorophenyl)methyl]urea
CID 69476095
5-(4-chlorophenyl)-N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid
CID 161077200

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-2-(trifluoromethoxy)benzamide (CID 10228060) is N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-2-(trifluoromethoxy)benzamide is CN(C)c1nc(NC2CCC(CNC(=O)c3ccccc3OC(F)(F)F)CC2)nc2ccccc12.
What is the InChIKey of N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-2-(trifluoromethoxy)benzamide?
The InChIKey is GZKQFBFBLRQKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N5O2/c1-33(2)22-18-7-3-5-9-20(18)31-24(32-22)30-17-13-11-16(12-14-17)15-29-23(34)19-8-4-6-10-21(19)35-25(26,27)28/h3-10,16-17H,11-15H2,1-2H3,(H,29,34)(H,30,31,32).
What are the key properties of N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-2-(trifluoromethoxy)benzamide?
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-2-(trifluoromethoxy)benzamide has a molecular weight of 487.53 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 10228060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).