2,2,2-trifluoro-N-[[4-[[6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-yl]amino]cyclohexyl]methyl]acetamide

C25H26F3N5O2 — CID 22667959

IUPAC2,2,2-trifluoro-N-[[4-[[6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-yl]amino]cyclohexyl]methyl]acetamide
SMILESCOc1ccc2nc(/C=C/c3ccccn3)nc(NC3CCC(CNC(=O)C(F)(F)F)CC3)c2c1
InChIInChI=1S/C25H26F3N5O2/c1-35-19-10-11-21-20(14-19)23(33-22(32-21)12-9-17-4-2-3-13-29-17)31-18-7-5-16(6-8-18)15-30-24(34)25(26,27)28/h2-4,9-14,16,18H,5-8,15H2,1H3,(H,30,34)(H,31,32,33)/b12-9+
InChIKeyNQERTFHIGXEWFD-FMIVXFBMSA-N
MW485.51 g/mol
LogP4.85
Rot. Bonds7

About 2,2,2-trifluoro-N-[[4-[[6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-yl]amino]cyclohexyl]methyl]acetamide

2,2,2-trifluoro-N-[[4-[[6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-yl]amino]cyclohexyl]methyl]acetamide (PubChem CID 22667959) has the molecular formula C25H26F3N5O2 and a molecular weight of 485.51 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[4-[[6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-yl]amino]cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[4-[[6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-yl]amino]cyclohexyl]methyl]acetamide
PubChem CID22667959
Molecular FormulaC25H26F3N5O2
Molecular Weight485.51 g/mol
Exact Mass485.20
IUPAC Name2,2,2-trifluoro-N-[[4-[[6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-yl]amino]cyclohexyl]methyl]acetamide
SMILESCOc1ccc2nc(/C=C/c3ccccn3)nc(NC3CCC(CNC(=O)C(F)(F)F)CC3)c2c1
InChIInChI=1S/C25H26F3N5O2/c1-35-19-10-11-21-20(14-19)23(33-22(32-21)12-9-17-4-2-3-13-29-17)31-18-7-5-16(6-8-18)15-30-24(34)25(26,27)28/h2-4,9-14,16,18H,5-8,15H2,1H3,(H,30,34)(H,31,32,33)/b12-9+
InChIKeyNQERTFHIGXEWFD-FMIVXFBMSA-N
XLogP4.85
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,2,2-trifluoro-N-[[4-[[6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-yl]amino]cyclohexyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[6-methyl-2-[(Z)-2-pyridin-2-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine
CID 69239806
4-N-[6-methoxy-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine
CID 69241897
N-[4-(aminomethyl)cyclohexyl]-2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-amine;dihydrochloride
CID 69149852
4-N-[2-[2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]cyclohexane-1,4-diamine
CID 69238337
methyl N'-[6-[[6-methoxy-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]amino]hexyl]-N-phenylcarbamimidothioate
CID 69086474
1-amino-1-[(1S,2R)-2-[6-methoxy-2-[(Z)-2-pyridin-2-ylethenyl]quinazolin-4-yl]cyclohexyl]guanidine
CID 161017587
(1S,2R,4R)-2-methyl-1-N-[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]cyclohexane-1,4-diamine
CID 69241485
N-[(4-aminocyclohexyl)methyl]-2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methoxyquinazolin-4-amine;dihydrochloride
CID 69238315
4-N-[2-[(Z)-2-(4-chlorophenyl)ethenyl]-6-propan-2-yloxyquinazolin-4-yl]cyclohexane-1,4-diamine;dihydrochloride
CID 69240579
1-(2-aminoethyl)-1-[2-[6-methoxy-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]-2-phenylethyl]guanidine
CID 158932494
1-[(3R,4R)-3-hydroxy-4-[[6-methoxy-4-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]quinazolin-2-yl]amino]pyrrolidin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 16750539
2-[2-[[6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]amino]cyclohexyl]guanidine;trihydrochloride
CID 22667936

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[4-[[6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-yl]amino]cyclohexyl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[4-[[6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-yl]amino]cyclohexyl]methyl]acetamide (CID 22667959) is 2,2,2-trifluoro-N-[[4-[[6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-yl]amino]cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[4-[[6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-yl]amino]cyclohexyl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[4-[[6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-yl]amino]cyclohexyl]methyl]acetamide is COc1ccc2nc(/C=C/c3ccccn3)nc(NC3CCC(CNC(=O)C(F)(F)F)CC3)c2c1.
What is the InChIKey of 2,2,2-trifluoro-N-[[4-[[6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-yl]amino]cyclohexyl]methyl]acetamide?
The InChIKey is NQERTFHIGXEWFD-FMIVXFBMSA-N. The full InChI is InChI=1S/C25H26F3N5O2/c1-35-19-10-11-21-20(14-19)23(33-22(32-21)12-9-17-4-2-3-13-29-17)31-18-7-5-16(6-8-18)15-30-24(34)25(26,27)28/h2-4,9-14,16,18H,5-8,15H2,1H3,(H,30,34)(H,31,32,33)/b12-9+.
What are the key properties of 2,2,2-trifluoro-N-[[4-[[6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-yl]amino]cyclohexyl]methyl]acetamide?
2,2,2-trifluoro-N-[[4-[[6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-yl]amino]cyclohexyl]methyl]acetamide has a molecular weight of 485.51 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[4-[[6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-yl]amino]cyclohexyl]methyl]acetamide is sourced from PubChem (CID 22667959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).