2-fluoro-N-[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]-5-(trifluoromethyl)benzamide

C23H23F4N5O — CID 162599111

IUPAC2-fluoro-N-[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]-5-(trifluoromethyl)benzamide
SMILESCNc1nc(NC2CCC(NC(=O)c3cc(C(F)(F)F)ccc3F)CC2)nc2ccccc12
InChIInChI=1S/C23H23F4N5O/c1-28-20-16-4-2-3-5-19(16)31-22(32-20)30-15-9-7-14(8-10-15)29-21(33)17-12-13(23(25,26)27)6-11-18(17)24/h2-6,11-12,14-15H,7-10H2,1H3,(H,29,33)(H2,28,30,31,32)
InChIKeyYMYFUVVGTNXXDM-UHFFFAOYSA-N
MW461.46 g/mol
LogP4.98
Rot. Bonds5

About 2-fluoro-N-[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]-5-(trifluoromethyl)benzamide

2-fluoro-N-[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]-5-(trifluoromethyl)benzamide (PubChem CID 162599111) has the molecular formula C23H23F4N5O and a molecular weight of 461.46 g/mol. Its IUPAC name is 2-fluoro-N-[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]-5-(trifluoromethyl)benzamide
PubChem CID162599111
Molecular FormulaC23H23F4N5O
Molecular Weight461.46 g/mol
Exact Mass461.18
IUPAC Name2-fluoro-N-[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]-5-(trifluoromethyl)benzamide
SMILESCNc1nc(NC2CCC(NC(=O)c3cc(C(F)(F)F)ccc3F)CC2)nc2ccccc12
InChIInChI=1S/C23H23F4N5O/c1-28-20-16-4-2-3-5-19(16)31-22(32-20)30-15-9-7-14(8-10-15)29-21(33)17-12-13(23(25,26)27)6-11-18(17)24/h2-6,11-12,14-15H,7-10H2,1H3,(H,29,33)(H2,28,30,31,32)
InChIKeyYMYFUVVGTNXXDM-UHFFFAOYSA-N
XLogP4.98
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.46
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-N-[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]-5-(trifluoromethyl)benzamide with MolForge

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Related Compounds

N-[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(trifluoromethoxy)benzamide;hydrochloride
CID 68847131
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-fluorobenzamide;2,2,2-trifluoroacetic acid
CID 162304567
4-fluoro-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide
CID 163267198
N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 142228779
N-cyclopropyl-3-[[2-(methylamino)quinazolin-4-yl]amino]propanamide
CID 80835488
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-(methylamino)benzamide
CID 163266948
4-[[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol
CID 80770402
2-chloro-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163267255
2-ethyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163267188
benzyl N-[[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]carbamate
CID 68847693
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(4-methylbenzoyl)benzamide
CID 10164382
2-fluoro-6-methyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163267200

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]-5-(trifluoromethyl)benzamide (CID 162599111) is 2-fluoro-N-[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]-5-(trifluoromethyl)benzamide is CNc1nc(NC2CCC(NC(=O)c3cc(C(F)(F)F)ccc3F)CC2)nc2ccccc12.
What is the InChIKey of 2-fluoro-N-[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]-5-(trifluoromethyl)benzamide?
The InChIKey is YMYFUVVGTNXXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F4N5O/c1-28-20-16-4-2-3-5-19(16)31-22(32-20)30-15-9-7-14(8-10-15)29-21(33)17-12-13(23(25,26)27)6-11-18(17)24/h2-6,11-12,14-15H,7-10H2,1H3,(H,29,33)(H2,28,30,31,32).
What are the key properties of 2-fluoro-N-[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]-5-(trifluoromethyl)benzamide?
2-fluoro-N-[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]-5-(trifluoromethyl)benzamide has a molecular weight of 461.46 g/mol, XLogP of 4.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 162599111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).