2-(2-cyanopropan-2-yl)-N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;3-(2-cyanopropan-2-yl)-N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]benzamide;2-(2-fluoropropan-2-yl)-N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;bis(N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide)

C163H161F10N21O18 — CID 159830658

IUPAC2-(2-cyanopropan-2-yl)-N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;3-(2-cyanopropan-2-yl)-N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]benzamide;2-(2-fluoropropan-2-yl)-N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;bis(N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide)
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1ccc2c(c1)N1CCOCC1CC2O.Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1ccc2c(c1)N1CCOCC1CC2O.Cc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)N1CCOCC1CC2O.Cc1ncc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1-c1ccc2c(c1)N1CCOCC1CC2O.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2c(c1)N1CCOCC1CC2O.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2c(c1)N1CCOCC1CC2O
InChIInChI=1S/2C29H30N4O3.C28H30FN3O3.2C26H24F3N3O3.C25H23F3N4O3/c1-18-4-6-21(32-28(35)20-8-9-31-27(13-20)29(2,3)17-30)14-24(18)19-5-7-23-25(12-19)33-10-11-36-16-22(33)15-26(23)34;1-18-25(19-7-8-24-26(12-19)33-9-10-36-16-23(33)14-27(24)34)13-22(15-31-18)32-28(35)20-5-4-6-21(11-20)29(2,3)17-30;1-17-4-6-20(31-27(34)19-8-9-30-26(13-19)28(2,3)29)14-23(17)18-5-7-22-24(12-18)32-10-11-35-16-21(32)15-25(22)33;2*1-15-22(16-5-6-21-23(10-16)32-7-8-35-14-20(32)12-24(21)33)11-19(13-30-15)31-25(34)17-3-2-4-18(9-17)26(27,28)29;1-14-2-4-17(30-24(34)16-9-23(25(26,27)28)31-29-12-16)10-20(14)15-3-5-19-21(8-15)32-6-7-35-13-18(32)11-22(19)33/h4-9,12-14,22,26,34H,10-11,15-16H2,1-3H3,(H,32,35);4-8,11-13,15,23,27,34H,9-10,14,16H2,1-3H3,(H,32,35);4-9,12-14,21,25,33H,10-11,15-16H2,1-3H3,(H,31,34);2*2-6,9-11,13,20,24,33H,7-8,12,14H2,1H3,(H,31,34);2-5,8-10,12,18,22,33H,6-7,11,13H2,1H3,(H,30,34)
InChIKeyNNKPCTDOFGHUIG-UHFFFAOYSA-N
MW2892.19 g/mol
LogP28.97
Rot. Bonds21

About 2-(2-cyanopropan-2-yl)-N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;3-(2-cyanopropan-2-yl)-N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]benzamide;2-(2-fluoropropan-2-yl)-N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;bis(N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide)

2-(2-cyanopropan-2-yl)-N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;3-(2-cyanopropan-2-yl)-N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]benzamide;2-(2-fluoropropan-2-yl)-N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;bis(N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide) (PubChem CID 159830658) has the molecular formula C163H161F10N21O18 and a molecular weight of 2892.19 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;3-(2-cyanopropan-2-yl)-N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]benzamide;2-(2-fluoropropan-2-yl)-N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;bis(N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide).

Molecular Properties

Compound Name2-(2-cyanopropan-2-yl)-N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;3-(2-cyanopropan-2-yl)-N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]benzamide;2-(2-fluoropropan-2-yl)-N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;bis(N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide)
PubChem CID159830658
Molecular FormulaC163H161F10N21O18
Molecular Weight2892.19 g/mol
Exact Mass2890.22
IUPAC Name2-(2-cyanopropan-2-yl)-N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;3-(2-cyanopropan-2-yl)-N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]benzamide;2-(2-fluoropropan-2-yl)-N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;bis(N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide)
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1ccc2c(c1)N1CCOCC1CC2O.Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1ccc2c(c1)N1CCOCC1CC2O.Cc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)N1CCOCC1CC2O.Cc1ncc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1-c1ccc2c(c1)N1CCOCC1CC2O.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2c(c1)N1CCOCC1CC2O.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2c(c1)N1CCOCC1CC2O
InChIInChI=1S/2C29H30N4O3.C28H30FN3O3.2C26H24F3N3O3.C25H23F3N4O3/c1-18-4-6-21(32-28(35)20-8-9-31-27(13-20)29(2,3)17-30)14-24(18)19-5-7-23-25(12-19)33-10-11-36-16-22(33)15-26(23)34;1-18-25(19-7-8-24-26(12-19)33-9-10-36-16-23(33)14-27(24)34)13-22(15-31-18)32-28(35)20-5-4-6-21(11-20)29(2,3)17-30;1-17-4-6-20(31-27(34)19-8-9-30-26(13-19)28(2,3)29)14-23(17)18-5-7-22-24(12-18)32-10-11-35-16-21(32)15-25(22)33;2*1-15-22(16-5-6-21-23(10-16)32-7-8-35-14-20(32)12-24(21)33)11-19(13-30-15)31-25(34)17-3-2-4-18(9-17)26(27,28)29;1-14-2-4-17(30-24(34)16-9-23(25(26,27)28)31-29-12-16)10-20(14)15-3-5-19-21(8-15)32-6-7-35-13-18(32)11-22(19)33/h4-9,12-14,22,26,34H,10-11,15-16H2,1-3H3,(H,32,35);4-8,11-13,15,23,27,34H,9-10,14,16H2,1-3H3,(H,32,35);4-9,12-14,21,25,33H,10-11,15-16H2,1-3H3,(H,31,34);2*2-6,9-11,13,20,24,33H,7-8,12,14H2,1H3,(H,31,34);2-5,8-10,12,18,22,33H,6-7,11,13H2,1H3,(H,30,34)
InChIKeyNNKPCTDOFGHUIG-UHFFFAOYSA-N
XLogP28.97
TPSA508.61 Ų
H-Bond Donors12
H-Bond Acceptors33
Rotatable Bonds21
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002892.19
LogP ≤ 528.97
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1033

Analyze 2-(2-cyanopropan-2-yl)-N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;3-(2-cyanopropan-2-yl)-N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]benzamide;2-(2-fluoropropan-2-yl)-N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;bis(N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopropan-2-yl)-N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;3-(2-cyanopropan-2-yl)-N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]benzamide;2-(2-fluoropropan-2-yl)-N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;bis(N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide)?
The IUPAC name of 2-(2-cyanopropan-2-yl)-N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;3-(2-cyanopropan-2-yl)-N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]benzamide;2-(2-fluoropropan-2-yl)-N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;bis(N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide) (CID 159830658) is 2-(2-cyanopropan-2-yl)-N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;3-(2-cyanopropan-2-yl)-N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]benzamide;2-(2-fluoropropan-2-yl)-N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;bis(N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide).
What is the SMILES notation for 2-(2-cyanopropan-2-yl)-N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;3-(2-cyanopropan-2-yl)-N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]benzamide;2-(2-fluoropropan-2-yl)-N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;bis(N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide)?
The canonical SMILES for 2-(2-cyanopropan-2-yl)-N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;3-(2-cyanopropan-2-yl)-N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]benzamide;2-(2-fluoropropan-2-yl)-N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;bis(N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide) is Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1ccc2c(c1)N1CCOCC1CC2O.Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1ccc2c(c1)N1CCOCC1CC2O.Cc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)N1CCOCC1CC2O.Cc1ncc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1-c1ccc2c(c1)N1CCOCC1CC2O.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2c(c1)N1CCOCC1CC2O.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2c(c1)N1CCOCC1CC2O.
What is the InChIKey of 2-(2-cyanopropan-2-yl)-N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;3-(2-cyanopropan-2-yl)-N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]benzamide;2-(2-fluoropropan-2-yl)-N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;bis(N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide)?
The InChIKey is NNKPCTDOFGHUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H30N4O3.C28H30FN3O3.2C26H24F3N3O3.C25H23F3N4O3/c1-18-4-6-21(32-28(35)20-8-9-31-27(13-20)29(2,3)17-30)14-24(18)19-5-7-23-25(12-19)33-10-11-36-16-22(33)15-26(23)34;1-18-25(19-7-8-24-26(12-19)33-9-10-36-16-23(33)14-27(24)34)13-22(15-31-18)32-28(35)20-5-4-6-21(11-20)29(2,3)17-30;1-17-4-6-20(31-27(34)19-8-9-30-26(13-19)28(2,3)29)14-23(17)18-5-7-22-24(12-18)32-10-11-35-16-21(32)15-25(22)33;2*1-15-22(16-5-6-21-23(10-16)32-7-8-35-14-20(32)12-24(21)33)11-19(13-30-15)31-25(34)17-3-2-4-18(9-17)26(27,28)29;1-14-2-4-17(30-24(34)16-9-23(25(26,27)28)31-29-12-16)10-20(14)15-3-5-19-21(8-15)32-6-7-35-13-18(32)11-22(19)33/h4-9,12-14,22,26,34H,10-11,15-16H2,1-3H3,(H,32,35);4-8,11-13,15,23,27,34H,9-10,14,16H2,1-3H3,(H,32,35);4-9,12-14,21,25,33H,10-11,15-16H2,1-3H3,(H,31,34);2*2-6,9-11,13,20,24,33H,7-8,12,14H2,1H3,(H,31,34);2-5,8-10,12,18,22,33H,6-7,11,13H2,1H3,(H,30,34).
What are the key properties of 2-(2-cyanopropan-2-yl)-N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;3-(2-cyanopropan-2-yl)-N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]benzamide;2-(2-fluoropropan-2-yl)-N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;bis(N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide)?
2-(2-cyanopropan-2-yl)-N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;3-(2-cyanopropan-2-yl)-N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]benzamide;2-(2-fluoropropan-2-yl)-N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;bis(N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide) has a molecular weight of 2892.19 g/mol, XLogP of 28.97, 21 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopropan-2-yl)-N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;3-(2-cyanopropan-2-yl)-N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]benzamide;2-(2-fluoropropan-2-yl)-N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;bis(N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide) is sourced from PubChem (CID 159830658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).