N-[4-[4-amino-6-chloro-2-(trifluoromethyl)quinolin-5-yl]cyclohexyl]-2-methylbenzamide

C24H23ClF3N3O — CID 169218335

IUPACN-[4-[4-amino-6-chloro-2-(trifluoromethyl)quinolin-5-yl]cyclohexyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCC(c2c(Cl)ccc3nc(C(F)(F)F)cc(N)c23)CC1
InChIInChI=1S/C24H23ClF3N3O/c1-13-4-2-3-5-16(13)23(32)30-15-8-6-14(7-9-15)21-17(25)10-11-19-22(21)18(29)12-20(31-19)24(26,27)28/h2-5,10-12,14-15H,6-9H2,1H3,(H2,29,31)(H,30,32)
InChIKeyLYHLJOVEFAVQST-UHFFFAOYSA-N
MW461.92 g/mol
LogP6.25
Rot. Bonds3

About N-[4-[4-amino-6-chloro-2-(trifluoromethyl)quinolin-5-yl]cyclohexyl]-2-methylbenzamide

N-[4-[4-amino-6-chloro-2-(trifluoromethyl)quinolin-5-yl]cyclohexyl]-2-methylbenzamide (PubChem CID 169218335) has the molecular formula C24H23ClF3N3O and a molecular weight of 461.92 g/mol. Its IUPAC name is N-[4-[4-amino-6-chloro-2-(trifluoromethyl)quinolin-5-yl]cyclohexyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[4-amino-6-chloro-2-(trifluoromethyl)quinolin-5-yl]cyclohexyl]-2-methylbenzamide
PubChem CID169218335
Molecular FormulaC24H23ClF3N3O
Molecular Weight461.92 g/mol
Exact Mass461.15
IUPAC NameN-[4-[4-amino-6-chloro-2-(trifluoromethyl)quinolin-5-yl]cyclohexyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCC(c2c(Cl)ccc3nc(C(F)(F)F)cc(N)c23)CC1
InChIInChI=1S/C24H23ClF3N3O/c1-13-4-2-3-5-16(13)23(32)30-15-8-6-14(7-9-15)21-17(25)10-11-19-22(21)18(29)12-20(31-19)24(26,27)28/h2-5,10-12,14-15H,6-9H2,1H3,(H2,29,31)(H,30,32)
InChIKeyLYHLJOVEFAVQST-UHFFFAOYSA-N
XLogP6.25
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.92
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163267255
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
2-chloro-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]benzamide
CID 163267336
N-(4-aminocyclohexyl)-2-methylbenzamide
CID 43653114
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-(methylamino)benzamide
CID 163266948
2-ethyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163267188
5-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 24947250
2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108557648
4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808371
2-fluoro-6-methyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163267200
cesium;carbanide;5-chloro-2-methoxy-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163267053
3-amino-N-cyclopropyl-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 4778662

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-6-chloro-2-(trifluoromethyl)quinolin-5-yl]cyclohexyl]-2-methylbenzamide?
The IUPAC name of N-[4-[4-amino-6-chloro-2-(trifluoromethyl)quinolin-5-yl]cyclohexyl]-2-methylbenzamide (CID 169218335) is N-[4-[4-amino-6-chloro-2-(trifluoromethyl)quinolin-5-yl]cyclohexyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[4-amino-6-chloro-2-(trifluoromethyl)quinolin-5-yl]cyclohexyl]-2-methylbenzamide?
The canonical SMILES for N-[4-[4-amino-6-chloro-2-(trifluoromethyl)quinolin-5-yl]cyclohexyl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCC(c2c(Cl)ccc3nc(C(F)(F)F)cc(N)c23)CC1.
What is the InChIKey of N-[4-[4-amino-6-chloro-2-(trifluoromethyl)quinolin-5-yl]cyclohexyl]-2-methylbenzamide?
The InChIKey is LYHLJOVEFAVQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF3N3O/c1-13-4-2-3-5-16(13)23(32)30-15-8-6-14(7-9-15)21-17(25)10-11-19-22(21)18(29)12-20(31-19)24(26,27)28/h2-5,10-12,14-15H,6-9H2,1H3,(H2,29,31)(H,30,32).
What are the key properties of N-[4-[4-amino-6-chloro-2-(trifluoromethyl)quinolin-5-yl]cyclohexyl]-2-methylbenzamide?
N-[4-[4-amino-6-chloro-2-(trifluoromethyl)quinolin-5-yl]cyclohexyl]-2-methylbenzamide has a molecular weight of 461.92 g/mol, XLogP of 6.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-amino-6-chloro-2-(trifluoromethyl)quinolin-5-yl]cyclohexyl]-2-methylbenzamide is sourced from PubChem (CID 169218335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).