N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-fluoro-5-(trifluoromethyl)benzamide

C24H29F4N5O — CID 23026918

IUPACN-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-fluoro-5-(trifluoromethyl)benzamide
SMILESCN(C)c1nc(NC2CCC(NC(=O)c3cc(F)cc(C(F)(F)F)c3)CC2)nc2c1CCCC2
InChIInChI=1S/C24H29F4N5O/c1-33(2)21-19-5-3-4-6-20(19)31-23(32-21)30-18-9-7-17(8-10-18)29-22(34)14-11-15(24(26,27)28)13-16(25)12-14/h11-13,17-18H,3-10H2,1-2H3,(H,29,34)(H,30,31,32)
InChIKeyNPROZSNQBRGLHX-UHFFFAOYSA-N
MW479.52 g/mol
LogP4.73
Rot. Bonds5

About N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-fluoro-5-(trifluoromethyl)benzamide

N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-fluoro-5-(trifluoromethyl)benzamide (PubChem CID 23026918) has the molecular formula C24H29F4N5O and a molecular weight of 479.52 g/mol. Its IUPAC name is N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-fluoro-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-fluoro-5-(trifluoromethyl)benzamide
PubChem CID23026918
Molecular FormulaC24H29F4N5O
Molecular Weight479.52 g/mol
Exact Mass479.23
IUPAC NameN-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-fluoro-5-(trifluoromethyl)benzamide
SMILESCN(C)c1nc(NC2CCC(NC(=O)c3cc(F)cc(C(F)(F)F)c3)CC2)nc2c1CCCC2
InChIInChI=1S/C24H29F4N5O/c1-33(2)21-19-5-3-4-6-20(19)31-23(32-21)30-18-9-7-17(8-10-18)29-22(34)14-11-15(24(26,27)28)13-16(25)12-14/h11-13,17-18H,3-10H2,1-2H3,(H,29,34)(H,30,31,32)
InChIKeyNPROZSNQBRGLHX-UHFFFAOYSA-N
XLogP4.73
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.52
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-fluoro-5-(trifluoromethyl)benzamide with MolForge

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Related Compounds

N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-4-fluoro-3-methylbenzamide
CID 23027256
3-benzoyl-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]benzamide
CID 23026622
1-(4-bromo-2,6-difluorophenyl)-3-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]urea
CID 23027524
1-(2,4-dibromo-6-fluorophenyl)-3-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]urea
CID 23027525
N-[4-[[4-(dimethylamino)-5,6-dimethylpyrimidin-2-yl]amino]cyclohexyl]-3-(trifluoromethyl)benzamide;2,2,2-trifluoroacetic acid
CID 87995707
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]thiourea
CID 23026847
2-(2-bromophenyl)-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]acetamide
CID 23027406
1-[(3,4-dichlorophenyl)methyl]-3-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]urea
CID 23027099
1-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea
CID 23027071
1-(3-chloro-2-methylphenyl)-3-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]urea
CID 23026617
1-(4-chloro-2-nitrophenyl)-3-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]urea
CID 23026602
N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide
CID 87995828

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-fluoro-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-fluoro-5-(trifluoromethyl)benzamide (CID 23026918) is N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-fluoro-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-fluoro-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-fluoro-5-(trifluoromethyl)benzamide is CN(C)c1nc(NC2CCC(NC(=O)c3cc(F)cc(C(F)(F)F)c3)CC2)nc2c1CCCC2.
What is the InChIKey of N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-fluoro-5-(trifluoromethyl)benzamide?
The InChIKey is NPROZSNQBRGLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F4N5O/c1-33(2)21-19-5-3-4-6-20(19)31-23(32-21)30-18-9-7-17(8-10-18)29-22(34)14-11-15(24(26,27)28)13-16(25)12-14/h11-13,17-18H,3-10H2,1-2H3,(H,29,34)(H,30,31,32).
What are the key properties of N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-fluoro-5-(trifluoromethyl)benzamide?
N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-fluoro-5-(trifluoromethyl)benzamide has a molecular weight of 479.52 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-fluoro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 23026918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).