4-cyano-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide

C23H20F3N5O — CID 163267105

IUPAC4-cyano-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide
SMILESN#Cc1ccc(C(=O)NC2CCC(Nc3nc(C(F)(F)F)nc4ccccc34)CC2)cc1
InChIInChI=1S/C23H20F3N5O/c24-23(25,26)22-30-19-4-2-1-3-18(19)20(31-22)28-16-9-11-17(12-10-16)29-21(32)15-7-5-14(13-27)6-8-15/h1-8,16-17H,9-12H2,(H,29,32)(H,28,30,31)
InChIKeyGPBSVXMFHOVTDV-UHFFFAOYSA-N
MW439.44 g/mol
LogP4.67
Rot. Bonds4

About 4-cyano-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide

4-cyano-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide (PubChem CID 163267105) has the molecular formula C23H20F3N5O and a molecular weight of 439.44 g/mol. Its IUPAC name is 4-cyano-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide
PubChem CID163267105
Molecular FormulaC23H20F3N5O
Molecular Weight439.44 g/mol
Exact Mass439.16
IUPAC Name4-cyano-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide
SMILESN#Cc1ccc(C(=O)NC2CCC(Nc3nc(C(F)(F)F)nc4ccccc34)CC2)cc1
InChIInChI=1S/C23H20F3N5O/c24-23(25,26)22-30-19-4-2-1-3-18(19)20(31-22)28-16-9-11-17(12-10-16)29-21(32)15-7-5-14(13-27)6-8-15/h1-8,16-17H,9-12H2,(H,29,32)(H,28,30,31)
InChIKeyGPBSVXMFHOVTDV-UHFFFAOYSA-N
XLogP4.67
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide
CID 163267198
4-cyano-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163266996
N-cyclopropyl-4-[2-(trifluoromethyl)quinolin-4-yl]benzamide
CID 172890418
4-cyano-N-(4-pyrazol-1-ylcyclohexyl)benzamide
CID 126851731
4-methyl-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid
CID 735192
4-[[4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]methyl]benzonitrile;2,2,2-trifluoroacetic acid
CID 172712720
3-[(4-cyanobenzoyl)amino]-N-cyclopropylbenzamide
CID 16567527
N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-(trifluoromethyl)quinazolin-4-amine
CID 95609013
2-fluoro-N-[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 162599111
4-cyano-N-[1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidin-4-yl]benzamide
CID 138617831
N-(1-acetylpiperidin-4-yl)-4-cyanobenzamide
CID 17463259
N-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-cyanobenzamide
CID 31679594

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide?
The IUPAC name of 4-cyano-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide (CID 163267105) is 4-cyano-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide.
What is the SMILES notation for 4-cyano-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide?
The canonical SMILES for 4-cyano-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide is N#Cc1ccc(C(=O)NC2CCC(Nc3nc(C(F)(F)F)nc4ccccc34)CC2)cc1.
What is the InChIKey of 4-cyano-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide?
The InChIKey is GPBSVXMFHOVTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O/c24-23(25,26)22-30-19-4-2-1-3-18(19)20(31-22)28-16-9-11-17(12-10-16)29-21(32)15-7-5-14(13-27)6-8-15/h1-8,16-17H,9-12H2,(H,29,32)(H,28,30,31).
What are the key properties of 4-cyano-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide?
4-cyano-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide has a molecular weight of 439.44 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide is sourced from PubChem (CID 163267105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).