(4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;1-[3-[(1R,2R)-2-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]oxy-4-methylphenyl]-3-methylbutan-1-one;4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]-N-propan-2-ylcyclohexane-1-carboxamide;hexakis(carbon dioxide);5-cyclohexyloxy-2-methylquinolin-4-amine;2-methyl-5-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]quinolin-4-amine;2-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyquinolin-4-amine

C131H160N14O22 — CID 157217769

IUPAC(4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;1-[3-[(1R,2R)-2-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]oxy-4-methylphenyl]-3-methylbutan-1-one;4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]-N-propan-2-ylcyclohexane-1-carboxamide;hexakis(carbon dioxide);5-cyclohexyloxy-2-methylquinolin-4-amine;2-methyl-5-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]quinolin-4-amine;2-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyquinolin-4-amine
SMILESCc1cc(N)c2c(OC3CCCCC3)cccc2n1.Cc1cc(N)c2c(OCC3CCC(C(=O)NC(C)C)CC3)cccc2n1.Cc1cc(N)c2c(O[C@@H]3CCCC[C@H]3Oc3cc(C(=O)CC(C)C)ccc3C)cccc2n1.Cc1cc(N)c2c(O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)cccc2n1.Cc1ccc(CN2CCC(COc3cccc4nc(C)cc(N)c34)CC2)cc1.Nc1cc(CO)nc2cccc(OC3CCCCC3)c12.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C28H34N2O3.C24H29N3O.C21H29N3O2.C20H28N2O.C16H20N2O2.C16H20N2O.6CO2/c1-17(2)14-23(31)20-13-12-18(3)27(16-20)33-25-10-6-5-9-24(25)32-26-11-7-8-22-28(26)21(29)15-19(4)30-22;1-17-6-8-19(9-7-17)15-27-12-10-20(11-13-27)16-28-23-5-3-4-22-24(23)21(25)14-18(2)26-22;1-13(2)23-21(25)16-9-7-15(8-10-16)12-26-19-6-4-5-18-20(19)17(22)11-14(3)24-18;1-12(2)15-9-8-13(3)10-19(15)23-18-7-5-6-17-20(18)16(21)11-14(4)22-17;17-13-9-11(10-19)18-14-7-4-8-15(16(13)14)20-12-5-2-1-3-6-12;1-11-10-13(17)16-14(18-11)8-5-9-15(16)19-12-6-3-2-4-7-12;6*2-1-3/h7-8,11-13,15-17,24-25H,5-6,9-10,14H2,1-4H3,(H2,29,30);3-9,14,20H,10-13,15-16H2,1-2H3,(H2,25,26);4-6,11,13,15-16H,7-10,12H2,1-3H3,(H2,22,24)(H,23,25);5-7,11-13,15,19H,8-10H2,1-4H3,(H2,21,22);4,7-9,12,19H,1-3,5-6,10H2,(H2,17,18);5,8-10,12H,2-4,6-7H2,1H3,(H2,17,18);;;;;;/t24-,25-;;;13-,15+,19-;;;;;;;;/m1..1......../s1
InChIKeyASPSTFKQJMRFKB-VFRKURAASA-N
MW2282.80 g/mol
LogP23.31
Rot. Bonds25

About (4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;1-[3-[(1R,2R)-2-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]oxy-4-methylphenyl]-3-methylbutan-1-one;4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]-N-propan-2-ylcyclohexane-1-carboxamide;hexakis(carbon dioxide);5-cyclohexyloxy-2-methylquinolin-4-amine;2-methyl-5-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]quinolin-4-amine;2-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyquinolin-4-amine

(4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;1-[3-[(1R,2R)-2-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]oxy-4-methylphenyl]-3-methylbutan-1-one;4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]-N-propan-2-ylcyclohexane-1-carboxamide;hexakis(carbon dioxide);5-cyclohexyloxy-2-methylquinolin-4-amine;2-methyl-5-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]quinolin-4-amine;2-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyquinolin-4-amine (PubChem CID 157217769) has the molecular formula C131H160N14O22 and a molecular weight of 2282.80 g/mol. Its IUPAC name is (4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;1-[3-[(1R,2R)-2-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]oxy-4-methylphenyl]-3-methylbutan-1-one;4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]-N-propan-2-ylcyclohexane-1-carboxamide;hexakis(carbon dioxide);5-cyclohexyloxy-2-methylquinolin-4-amine;2-methyl-5-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]quinolin-4-amine;2-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyquinolin-4-amine.

Molecular Properties

Compound Name(4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;1-[3-[(1R,2R)-2-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]oxy-4-methylphenyl]-3-methylbutan-1-one;4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]-N-propan-2-ylcyclohexane-1-carboxamide;hexakis(carbon dioxide);5-cyclohexyloxy-2-methylquinolin-4-amine;2-methyl-5-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]quinolin-4-amine;2-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyquinolin-4-amine
PubChem CID157217769
Molecular FormulaC131H160N14O22
Molecular Weight2282.80 g/mol
Exact Mass2281.18
IUPAC Name(4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;1-[3-[(1R,2R)-2-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]oxy-4-methylphenyl]-3-methylbutan-1-one;4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]-N-propan-2-ylcyclohexane-1-carboxamide;hexakis(carbon dioxide);5-cyclohexyloxy-2-methylquinolin-4-amine;2-methyl-5-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]quinolin-4-amine;2-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyquinolin-4-amine
SMILESCc1cc(N)c2c(OC3CCCCC3)cccc2n1.Cc1cc(N)c2c(OCC3CCC(C(=O)NC(C)C)CC3)cccc2n1.Cc1cc(N)c2c(O[C@@H]3CCCC[C@H]3Oc3cc(C(=O)CC(C)C)ccc3C)cccc2n1.Cc1cc(N)c2c(O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)cccc2n1.Cc1ccc(CN2CCC(COc3cccc4nc(C)cc(N)c34)CC2)cc1.Nc1cc(CO)nc2cccc(OC3CCCCC3)c12.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C28H34N2O3.C24H29N3O.C21H29N3O2.C20H28N2O.C16H20N2O2.C16H20N2O.6CO2/c1-17(2)14-23(31)20-13-12-18(3)27(16-20)33-25-10-6-5-9-24(25)32-26-11-7-8-22-28(26)21(29)15-19(4)30-22;1-17-6-8-19(9-7-17)15-27-12-10-20(11-13-27)16-28-23-5-3-4-22-24(23)21(25)14-18(2)26-22;1-13(2)23-21(25)16-9-7-15(8-10-16)12-26-19-6-4-5-18-20(19)17(22)11-14(3)24-18;1-12(2)15-9-8-13(3)10-19(15)23-18-7-5-6-17-20(18)16(21)11-14(4)22-17;17-13-9-11(10-19)18-14-7-4-8-15(16(13)14)20-12-5-2-1-3-6-12;1-11-10-13(17)16-14(18-11)8-5-9-15(16)19-12-6-3-2-4-7-12;6*2-1-3/h7-8,11-13,15-17,24-25H,5-6,9-10,14H2,1-4H3,(H2,29,30);3-9,14,20H,10-13,15-16H2,1-2H3,(H2,25,26);4-6,11,13,15-16H,7-10,12H2,1-3H3,(H2,22,24)(H,23,25);5-7,11-13,15,19H,8-10H2,1-4H3,(H2,21,22);4,7-9,12,19H,1-3,5-6,10H2,(H2,17,18);5,8-10,12H,2-4,6-7H2,1H3,(H2,17,18);;;;;;/t24-,25-;;;13-,15+,19-;;;;;;;;/m1..1......../s1
InChIKeyASPSTFKQJMRFKB-VFRKURAASA-N
XLogP23.31
TPSA572.55 Ų
H-Bond Donors8
H-Bond Acceptors35
Rotatable Bonds25
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002282.80
LogP ≤ 523.31
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1035

Analyze (4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;1-[3-[(1R,2R)-2-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]oxy-4-methylphenyl]-3-methylbutan-1-one;4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]-N-propan-2-ylcyclohexane-1-carboxamide;hexakis(carbon dioxide);5-cyclohexyloxy-2-methylquinolin-4-amine;2-methyl-5-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]quinolin-4-amine;2-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyquinolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;1-[3-[(1R,2R)-2-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]oxy-4-methylphenyl]-3-methylbutan-1-one;4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]-N-propan-2-ylcyclohexane-1-carboxamide;hexakis(carbon dioxide);5-cyclohexyloxy-2-methylquinolin-4-amine;2-methyl-5-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]quinolin-4-amine;2-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyquinolin-4-amine?
The IUPAC name of (4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;1-[3-[(1R,2R)-2-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]oxy-4-methylphenyl]-3-methylbutan-1-one;4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]-N-propan-2-ylcyclohexane-1-carboxamide;hexakis(carbon dioxide);5-cyclohexyloxy-2-methylquinolin-4-amine;2-methyl-5-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]quinolin-4-amine;2-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyquinolin-4-amine (CID 157217769) is (4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;1-[3-[(1R,2R)-2-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]oxy-4-methylphenyl]-3-methylbutan-1-one;4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]-N-propan-2-ylcyclohexane-1-carboxamide;hexakis(carbon dioxide);5-cyclohexyloxy-2-methylquinolin-4-amine;2-methyl-5-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]quinolin-4-amine;2-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyquinolin-4-amine.
What is the SMILES notation for (4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;1-[3-[(1R,2R)-2-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]oxy-4-methylphenyl]-3-methylbutan-1-one;4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]-N-propan-2-ylcyclohexane-1-carboxamide;hexakis(carbon dioxide);5-cyclohexyloxy-2-methylquinolin-4-amine;2-methyl-5-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]quinolin-4-amine;2-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyquinolin-4-amine?
The canonical SMILES for (4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;1-[3-[(1R,2R)-2-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]oxy-4-methylphenyl]-3-methylbutan-1-one;4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]-N-propan-2-ylcyclohexane-1-carboxamide;hexakis(carbon dioxide);5-cyclohexyloxy-2-methylquinolin-4-amine;2-methyl-5-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]quinolin-4-amine;2-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyquinolin-4-amine is Cc1cc(N)c2c(OC3CCCCC3)cccc2n1.Cc1cc(N)c2c(OCC3CCC(C(=O)NC(C)C)CC3)cccc2n1.Cc1cc(N)c2c(O[C@@H]3CCCC[C@H]3Oc3cc(C(=O)CC(C)C)ccc3C)cccc2n1.Cc1cc(N)c2c(O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)cccc2n1.Cc1ccc(CN2CCC(COc3cccc4nc(C)cc(N)c34)CC2)cc1.Nc1cc(CO)nc2cccc(OC3CCCCC3)c12.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of (4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;1-[3-[(1R,2R)-2-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]oxy-4-methylphenyl]-3-methylbutan-1-one;4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]-N-propan-2-ylcyclohexane-1-carboxamide;hexakis(carbon dioxide);5-cyclohexyloxy-2-methylquinolin-4-amine;2-methyl-5-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]quinolin-4-amine;2-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyquinolin-4-amine?
The InChIKey is ASPSTFKQJMRFKB-VFRKURAASA-N. The full InChI is InChI=1S/C28H34N2O3.C24H29N3O.C21H29N3O2.C20H28N2O.C16H20N2O2.C16H20N2O.6CO2/c1-17(2)14-23(31)20-13-12-18(3)27(16-20)33-25-10-6-5-9-24(25)32-26-11-7-8-22-28(26)21(29)15-19(4)30-22;1-17-6-8-19(9-7-17)15-27-12-10-20(11-13-27)16-28-23-5-3-4-22-24(23)21(25)14-18(2)26-22;1-13(2)23-21(25)16-9-7-15(8-10-16)12-26-19-6-4-5-18-20(19)17(22)11-14(3)24-18;1-12(2)15-9-8-13(3)10-19(15)23-18-7-5-6-17-20(18)16(21)11-14(4)22-17;17-13-9-11(10-19)18-14-7-4-8-15(16(13)14)20-12-5-2-1-3-6-12;1-11-10-13(17)16-14(18-11)8-5-9-15(16)19-12-6-3-2-4-7-12;6*2-1-3/h7-8,11-13,15-17,24-25H,5-6,9-10,14H2,1-4H3,(H2,29,30);3-9,14,20H,10-13,15-16H2,1-2H3,(H2,25,26);4-6,11,13,15-16H,7-10,12H2,1-3H3,(H2,22,24)(H,23,25);5-7,11-13,15,19H,8-10H2,1-4H3,(H2,21,22);4,7-9,12,19H,1-3,5-6,10H2,(H2,17,18);5,8-10,12H,2-4,6-7H2,1H3,(H2,17,18);;;;;;/t24-,25-;;;13-,15+,19-;;;;;;;;/m1..1......../s1.
What are the key properties of (4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;1-[3-[(1R,2R)-2-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]oxy-4-methylphenyl]-3-methylbutan-1-one;4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]-N-propan-2-ylcyclohexane-1-carboxamide;hexakis(carbon dioxide);5-cyclohexyloxy-2-methylquinolin-4-amine;2-methyl-5-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]quinolin-4-amine;2-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyquinolin-4-amine?
(4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;1-[3-[(1R,2R)-2-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]oxy-4-methylphenyl]-3-methylbutan-1-one;4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]-N-propan-2-ylcyclohexane-1-carboxamide;hexakis(carbon dioxide);5-cyclohexyloxy-2-methylquinolin-4-amine;2-methyl-5-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]quinolin-4-amine;2-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyquinolin-4-amine has a molecular weight of 2282.80 g/mol, XLogP of 23.31, 25 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;1-[3-[(1R,2R)-2-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]oxy-4-methylphenyl]-3-methylbutan-1-one;4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]-N-propan-2-ylcyclohexane-1-carboxamide;hexakis(carbon dioxide);5-cyclohexyloxy-2-methylquinolin-4-amine;2-methyl-5-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]quinolin-4-amine;2-methyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyquinolin-4-amine is sourced from PubChem (CID 157217769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).