4-chloro-2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide;N,N-dimethyl-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrazine-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C73H82ClF4N17O9 — CID 159681594

IUPAC4-chloro-2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide;N,N-dimethyl-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrazine-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCN(C)C(=O)c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)cn1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1cc(C(F)(F)F)[nH]n1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1ccc(Cl)cc1F
InChIInChI=1S/C25H26ClFN4O3.C25H31N7O3.C23H25F3N6O3/c26-16-1-6-20(21(27)13-16)25(32)30-17-2-4-19(5-3-17)34-23-15-18(31-9-11-33-12-10-31)14-22-24(23)29-8-7-28-22;1-31(2)25(33)21-15-29-23(16-28-21)30-17-3-5-19(6-4-17)35-22-14-18(32-9-11-34-12-10-32)13-20-24(22)27-8-7-26-20;24-23(25,26)20-13-18(30-31-20)22(33)29-14-1-3-16(4-2-14)35-19-12-15(32-7-9-34-10-8-32)11-17-21(19)28-6-5-27-17/h1,6-8,13-15,17,19H,2-5,9-12H2,(H,30,32);7-8,13-17,19H,3-6,9-12H2,1-2H3,(H,29,30);5-6,11-14,16H,1-4,7-10H2,(H,29,33)(H,30,31)
InChIKeyMVGRJNBDLCBVKT-UHFFFAOYSA-N
MW1453.01 g/mol
LogP10.47
Rot. Bonds16

About 4-chloro-2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide;N,N-dimethyl-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrazine-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

4-chloro-2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide;N,N-dimethyl-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrazine-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 159681594) has the molecular formula C73H82ClF4N17O9 and a molecular weight of 1453.01 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide;N,N-dimethyl-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrazine-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide;N,N-dimethyl-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrazine-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID159681594
Molecular FormulaC73H82ClF4N17O9
Molecular Weight1453.01 g/mol
Exact Mass1451.61
IUPAC Name4-chloro-2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide;N,N-dimethyl-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrazine-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCN(C)C(=O)c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)cn1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1cc(C(F)(F)F)[nH]n1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1ccc(Cl)cc1F
InChIInChI=1S/C25H26ClFN4O3.C25H31N7O3.C23H25F3N6O3/c26-16-1-6-20(21(27)13-16)25(32)30-17-2-4-19(5-3-17)34-23-15-18(31-9-11-33-12-10-31)14-22-24(23)29-8-7-28-22;1-31(2)25(33)21-15-29-23(16-28-21)30-17-3-5-19(6-4-17)35-22-14-18(32-9-11-34-12-10-32)13-20-24(22)27-8-7-26-20;24-23(25,26)20-13-18(30-31-20)22(33)29-14-1-3-16(4-2-14)35-19-12-15(32-7-9-34-10-8-32)11-17-21(19)28-6-5-27-17/h1,6-8,13-15,17,19H,2-5,9-12H2,(H,30,32);7-8,13-17,19H,3-6,9-12H2,1-2H3,(H,29,30);5-6,11-14,16H,1-4,7-10H2,(H,29,33)(H,30,31)
InChIKeyMVGRJNBDLCBVKT-UHFFFAOYSA-N
XLogP10.47
TPSA287.44 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001453.01
LogP ≤ 510.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze 4-chloro-2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide;N,N-dimethyl-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrazine-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

N-[4-[7-[2-[8-[4-[[6-(2-methoxyethylamino)pyrimidin-4-yl]amino]cyclohexyl]oxy-6-morpholin-4-ylquinoxalin-2-yl]morpholin-4-yl]quinoxalin-5-yl]oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 138546176
3-[(3-acetyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-yl)amino]-6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide;3-[[(4aS)-3-(oxan-4-yl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-yl]amino]-6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide;3-[(3-benzoyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-yl)amino]-6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide;6-ethyl-5-(oxan-4-ylamino)-3-[[3-(pyridine-4-carbonyl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-yl]amino]pyrazine-2-carboxamide;6-ethyl-5-(oxan-4-ylamino)-3-[[3-(2,2,2-trifluoroacetyl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-yl]amino]pyrazine-2-carboxamide;sulfane
CID 157541195
N,N-dimethyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxamide;N-methyl-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxamide;N-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridazin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyrazin-2-amine
CID 158381264
N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]pyridazine-3-carboxamide;N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4-carboxamide;N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]pyrimidine-5-carboxamide;N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;8-[4-[(4,6-difluoropyrimidin-2-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane
CID 159068426
tert-butyl 2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzoate;1-(cyclohexylmethyl)-3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]urea;2-fluoro-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]benzoic acid;6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-3-amine
CID 159151605
4-chloro-2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide;2-fluoro-4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide;2-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-oxazole-4-carboxamide;5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrazine-2-carbonitrile;3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]imino-5-(trifluoromethyl)-1,2-oxazolidin-5-ol
CID 160081315
4,6-difluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1H-pyrazole-5-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridazine-3-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-5-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 160142089
4,6-difluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrazine-2-carbonitrile;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-yloxypyrimidin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 160698397
4,6-difluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-yloxypyrimidin-2-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 160705008
2,6-dimethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]imino-5-(trifluoromethyl)-1,2-oxazolidin-5-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 160802234
1-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]imidazole-2-carboxamide;6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide;(1R)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol
CID 161152557
5-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;1-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]imidazole-2-carboxamide;6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide;(1R)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol
CID 161542330

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide;N,N-dimethyl-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrazine-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide;N,N-dimethyl-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrazine-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 159681594) is 4-chloro-2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide;N,N-dimethyl-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrazine-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide;N,N-dimethyl-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrazine-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide;N,N-dimethyl-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrazine-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is CN(C)C(=O)c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)cn1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1cc(C(F)(F)F)[nH]n1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide;N,N-dimethyl-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrazine-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is MVGRJNBDLCBVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClFN4O3.C25H31N7O3.C23H25F3N6O3/c26-16-1-6-20(21(27)13-16)25(32)30-17-2-4-19(5-3-17)34-23-15-18(31-9-11-33-12-10-31)14-22-24(23)29-8-7-28-22;1-31(2)25(33)21-15-29-23(16-28-21)30-17-3-5-19(6-4-17)35-22-14-18(32-9-11-34-12-10-32)13-20-24(22)27-8-7-26-20;24-23(25,26)20-13-18(30-31-20)22(33)29-14-1-3-16(4-2-14)35-19-12-15(32-7-9-34-10-8-32)11-17-21(19)28-6-5-27-17/h1,6-8,13-15,17,19H,2-5,9-12H2,(H,30,32);7-8,13-17,19H,3-6,9-12H2,1-2H3,(H,29,30);5-6,11-14,16H,1-4,7-10H2,(H,29,33)(H,30,31).
What are the key properties of 4-chloro-2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide;N,N-dimethyl-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrazine-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
4-chloro-2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide;N,N-dimethyl-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrazine-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 1453.01 g/mol, XLogP of 10.47, 16 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide;N,N-dimethyl-5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrazine-2-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 159681594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).