N-[3-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]-2-(4-methylmorpholin-2-yl)acetamide

C23H24F3N5O2 — CID 165124309

IUPACN-[3-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]-2-(4-methylmorpholin-2-yl)acetamide
SMILESCN1CCOC(CC(=O)NC23CN(c4ccc(C#N)c5ncccc45)CC2(C(F)(F)F)C3)C1
InChIInChI=1S/C23H24F3N5O2/c1-30-7-8-33-16(11-30)9-19(32)29-22-12-21(22,23(24,25)26)13-31(14-22)18-5-4-15(10-27)20-17(18)3-2-6-28-20/h2-6,16H,7-9,11-14H2,1H3,(H,29,32)
InChIKeyYPAOLISIIFAKFT-UHFFFAOYSA-N
MW459.47 g/mol
LogP2.45
Rot. Bonds4

About N-[3-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]-2-(4-methylmorpholin-2-yl)acetamide

N-[3-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]-2-(4-methylmorpholin-2-yl)acetamide (PubChem CID 165124309) has the molecular formula C23H24F3N5O2 and a molecular weight of 459.47 g/mol. Its IUPAC name is N-[3-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]-2-(4-methylmorpholin-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]-2-(4-methylmorpholin-2-yl)acetamide
PubChem CID165124309
Molecular FormulaC23H24F3N5O2
Molecular Weight459.47 g/mol
Exact Mass459.19
IUPAC NameN-[3-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]-2-(4-methylmorpholin-2-yl)acetamide
SMILESCN1CCOC(CC(=O)NC23CN(c4ccc(C#N)c5ncccc45)CC2(C(F)(F)F)C3)C1
InChIInChI=1S/C23H24F3N5O2/c1-30-7-8-33-16(11-30)9-19(32)29-22-12-21(22,23(24,25)26)13-31(14-22)18-5-4-15(10-27)20-17(18)3-2-6-28-20/h2-6,16H,7-9,11-14H2,1H3,(H,29,32)
InChIKeyYPAOLISIIFAKFT-UHFFFAOYSA-N
XLogP2.45
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(8-cyanoquinoxalin-5-yl)-N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 165124329
(1R,5S)-3-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
CID 170436023
5-[1-[[(1-methylpiperidin-4-yl)amino]methyl]-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]quinoline-8-carbonitrile
CID 165124383
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 175312712
(3R)-2-tert-butyl-3-[[[3-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]-formylamino]methyl]morpholine-4-carboxylic acid
CID 175312755
ethyl 3-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylate
CID 165124400
(1R,5S)-3-(8-cyanoquinolin-5-yl)-N-[[(2R)-6,6-dimethylmorpholin-2-yl]methyl]-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 175784184
(1R,5S)-3-(8-cyanoquinolin-5-yl)-N-[4-(dimethylamino)cyclohexyl]-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 165124319
N-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]-2,2-dimethylpropanamide
CID 118007348
(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxybutyl]morpholine-2-carboxamide
CID 118007420
5-[(2S,6R)-2-(hydroxymethyl)-6-(trifluoromethyl)morpholin-4-yl]quinoline-8-carbonitrile
CID 146316832
5-[(1S,5R)-1-[5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]quinoline-8-carbonitrile
CID 170436072

Frequently Asked Questions

What is the IUPAC name of N-[3-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]-2-(4-methylmorpholin-2-yl)acetamide?
The IUPAC name of N-[3-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]-2-(4-methylmorpholin-2-yl)acetamide (CID 165124309) is N-[3-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]-2-(4-methylmorpholin-2-yl)acetamide.
What is the SMILES notation for N-[3-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]-2-(4-methylmorpholin-2-yl)acetamide?
The canonical SMILES for N-[3-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]-2-(4-methylmorpholin-2-yl)acetamide is CN1CCOC(CC(=O)NC23CN(c4ccc(C#N)c5ncccc45)CC2(C(F)(F)F)C3)C1.
What is the InChIKey of N-[3-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]-2-(4-methylmorpholin-2-yl)acetamide?
The InChIKey is YPAOLISIIFAKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O2/c1-30-7-8-33-16(11-30)9-19(32)29-22-12-21(22,23(24,25)26)13-31(14-22)18-5-4-15(10-27)20-17(18)3-2-6-28-20/h2-6,16H,7-9,11-14H2,1H3,(H,29,32).
What are the key properties of N-[3-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]-2-(4-methylmorpholin-2-yl)acetamide?
N-[3-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]-2-(4-methylmorpholin-2-yl)acetamide has a molecular weight of 459.47 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]-2-(4-methylmorpholin-2-yl)acetamide is sourced from PubChem (CID 165124309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).