5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;cis-(1S,2R)-2-methylcyclohexan-1-amine;cis-(1R,2S)-2-methylcyclohexan-1-amine;(3S,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-yl)piperidin-4-amine;4-[[(1R,2R)-2-methylcyclohexyl]methyl]oxane;4-[[(1S,2S)-2-methylcyclohexyl]methyl]oxane;(3S,4S)-3-methyl-4-(oxan-4-ylmethyl)piperidine;bis((3R,4R)-3-methyl-4-(oxan-4-ylmethyl)piperidine);bis(oxan-4-one)

C127H210ClF2N13O12 — CID 158904696

IUPAC5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;cis-(1S,2R)-2-methylcyclohexan-1-amine;cis-(1R,2S)-2-methylcyclohexan-1-amine;(3S,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-yl)piperidin-4-amine;4-[[(1R,2R)-2-methylcyclohexyl]methyl]oxane;4-[[(1S,2S)-2-methylcyclohexyl]methyl]oxane;(3S,4S)-3-methyl-4-(oxan-4-ylmethyl)piperidine;bis((3R,4R)-3-methyl-4-(oxan-4-ylmethyl)piperidine);bis(oxan-4-one)
SMILESCCc1cc(F)c2nc(Cl)c(-c3nc(C)no3)c(C)c2c1.CCc1cc(F)c2nc(N3CC[C@@H](NC4CCOCC4)[C@@H](C)C3)c(-c3nc(C)no3)c(C)c2c1.C[C@@H]1CCCC[C@@H]1CC1CCOCC1.C[C@@H]1CCCC[C@@H]1N.C[C@@H]1CNCC[C@@H]1CC1CCOCC1.C[C@H]1CCCC[C@H]1CC1CCOCC1.C[C@H]1CCCC[C@H]1N.C[C@H]1CNCC[C@H]1CC1CCOCC1.C[C@H]1CNCC[C@H]1CC1CCOCC1.O=C1CCOCC1.O=C1CCOCC1
InChIInChI=1S/C26H34FN5O2.C15H13ClFN3O.2C13H24O.3C12H23NO.2C7H15N.2C5H8O2/c1-5-18-12-20-16(3)23(26-28-17(4)31-34-26)25(30-24(20)21(27)13-18)32-9-6-22(15(2)14-32)29-19-7-10-33-11-8-19;1-4-9-5-10-7(2)12(15-18-8(3)20-21-15)14(16)19-13(10)11(17)6-9;2*1-11-4-2-3-5-13(11)10-12-6-8-14-9-7-12;3*1-10-9-13-5-2-12(10)8-11-3-6-14-7-4-11;2*1-6-4-2-3-5-7(6)8;2*6-5-1-3-7-4-2-5/h12-13,15,19,22,29H,5-11,14H2,1-4H3;5-6H,4H2,1-3H3;2*11-13H,2-10H2,1H3;3*10-13H,2-9H2,1H3;2*6-7H,2-5,8H2,1H3;2*1-4H2/t15-,22+;;2*11-,13-;3*10-,12-;2*6-,7+;;/m0.1010010../s1
InChIKeyJFWZCQPAWSHXEG-REVDXYTFSA-N
MW2184.60 g/mol
LogP26.03
Rot. Bonds17

About 5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;cis-(1S,2R)-2-methylcyclohexan-1-amine;cis-(1R,2S)-2-methylcyclohexan-1-amine;(3S,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-yl)piperidin-4-amine;4-[[(1R,2R)-2-methylcyclohexyl]methyl]oxane;4-[[(1S,2S)-2-methylcyclohexyl]methyl]oxane;(3S,4S)-3-methyl-4-(oxan-4-ylmethyl)piperidine;bis((3R,4R)-3-methyl-4-(oxan-4-ylmethyl)piperidine);bis(oxan-4-one)

5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;cis-(1S,2R)-2-methylcyclohexan-1-amine;cis-(1R,2S)-2-methylcyclohexan-1-amine;(3S,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-yl)piperidin-4-amine;4-[[(1R,2R)-2-methylcyclohexyl]methyl]oxane;4-[[(1S,2S)-2-methylcyclohexyl]methyl]oxane;(3S,4S)-3-methyl-4-(oxan-4-ylmethyl)piperidine;bis((3R,4R)-3-methyl-4-(oxan-4-ylmethyl)piperidine);bis(oxan-4-one) (PubChem CID 158904696) has the molecular formula C127H210ClF2N13O12 and a molecular weight of 2184.60 g/mol. Its IUPAC name is 5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;cis-(1S,2R)-2-methylcyclohexan-1-amine;cis-(1R,2S)-2-methylcyclohexan-1-amine;(3S,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-yl)piperidin-4-amine;4-[[(1R,2R)-2-methylcyclohexyl]methyl]oxane;4-[[(1S,2S)-2-methylcyclohexyl]methyl]oxane;(3S,4S)-3-methyl-4-(oxan-4-ylmethyl)piperidine;bis((3R,4R)-3-methyl-4-(oxan-4-ylmethyl)piperidine);bis(oxan-4-one).

Molecular Properties

Compound Name5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;cis-(1S,2R)-2-methylcyclohexan-1-amine;cis-(1R,2S)-2-methylcyclohexan-1-amine;(3S,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-yl)piperidin-4-amine;4-[[(1R,2R)-2-methylcyclohexyl]methyl]oxane;4-[[(1S,2S)-2-methylcyclohexyl]methyl]oxane;(3S,4S)-3-methyl-4-(oxan-4-ylmethyl)piperidine;bis((3R,4R)-3-methyl-4-(oxan-4-ylmethyl)piperidine);bis(oxan-4-one)
PubChem CID158904696
Molecular FormulaC127H210ClF2N13O12
Molecular Weight2184.60 g/mol
Exact Mass2182.59
IUPAC Name5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;cis-(1S,2R)-2-methylcyclohexan-1-amine;cis-(1R,2S)-2-methylcyclohexan-1-amine;(3S,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-yl)piperidin-4-amine;4-[[(1R,2R)-2-methylcyclohexyl]methyl]oxane;4-[[(1S,2S)-2-methylcyclohexyl]methyl]oxane;(3S,4S)-3-methyl-4-(oxan-4-ylmethyl)piperidine;bis((3R,4R)-3-methyl-4-(oxan-4-ylmethyl)piperidine);bis(oxan-4-one)
SMILESCCc1cc(F)c2nc(Cl)c(-c3nc(C)no3)c(C)c2c1.CCc1cc(F)c2nc(N3CC[C@@H](NC4CCOCC4)[C@@H](C)C3)c(-c3nc(C)no3)c(C)c2c1.C[C@@H]1CCCC[C@@H]1CC1CCOCC1.C[C@@H]1CCCC[C@@H]1N.C[C@@H]1CNCC[C@@H]1CC1CCOCC1.C[C@H]1CCCC[C@H]1CC1CCOCC1.C[C@H]1CCCC[C@H]1N.C[C@H]1CNCC[C@H]1CC1CCOCC1.C[C@H]1CNCC[C@H]1CC1CCOCC1.O=C1CCOCC1.O=C1CCOCC1
InChIInChI=1S/C26H34FN5O2.C15H13ClFN3O.2C13H24O.3C12H23NO.2C7H15N.2C5H8O2/c1-5-18-12-20-16(3)23(26-28-17(4)31-34-26)25(30-24(20)21(27)13-18)32-9-6-22(15(2)14-32)29-19-7-10-33-11-8-19;1-4-9-5-10-7(2)12(15-18-8(3)20-21-15)14(16)19-13(10)11(17)6-9;2*1-11-4-2-3-5-13(11)10-12-6-8-14-9-7-12;3*1-10-9-13-5-2-12(10)8-11-3-6-14-7-4-11;2*1-6-4-2-3-5-7(6)8;2*6-5-1-3-7-4-2-5/h12-13,15,19,22,29H,5-11,14H2,1-4H3;5-6H,4H2,1-3H3;2*11-13H,2-10H2,1H3;3*10-13H,2-9H2,1H3;2*6-7H,2-5,8H2,1H3;2*1-4H2/t15-,22+;;2*11-,13-;3*10-,12-;2*6-,7+;;/m0.1010010../s1
InChIKeyJFWZCQPAWSHXEG-REVDXYTFSA-N
XLogP26.03
TPSA315.00 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds17
Heavy Atoms155
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002184.60
LogP ≤ 526.03
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;cis-(1S,2R)-2-methylcyclohexan-1-amine;cis-(1R,2S)-2-methylcyclohexan-1-amine;(3S,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-yl)piperidin-4-amine;4-[[(1R,2R)-2-methylcyclohexyl]methyl]oxane;4-[[(1S,2S)-2-methylcyclohexyl]methyl]oxane;(3S,4S)-3-methyl-4-(oxan-4-ylmethyl)piperidine;bis((3R,4R)-3-methyl-4-(oxan-4-ylmethyl)piperidine);bis(oxan-4-one) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;cis-(1S,2R)-2-methylcyclohexan-1-amine;cis-(1R,2S)-2-methylcyclohexan-1-amine;(3S,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-yl)piperidin-4-amine;4-[[(1R,2R)-2-methylcyclohexyl]methyl]oxane;4-[[(1S,2S)-2-methylcyclohexyl]methyl]oxane;(3S,4S)-3-methyl-4-(oxan-4-ylmethyl)piperidine;bis((3R,4R)-3-methyl-4-(oxan-4-ylmethyl)piperidine);bis(oxan-4-one)?
The IUPAC name of 5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;cis-(1S,2R)-2-methylcyclohexan-1-amine;cis-(1R,2S)-2-methylcyclohexan-1-amine;(3S,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-yl)piperidin-4-amine;4-[[(1R,2R)-2-methylcyclohexyl]methyl]oxane;4-[[(1S,2S)-2-methylcyclohexyl]methyl]oxane;(3S,4S)-3-methyl-4-(oxan-4-ylmethyl)piperidine;bis((3R,4R)-3-methyl-4-(oxan-4-ylmethyl)piperidine);bis(oxan-4-one) (CID 158904696) is 5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;cis-(1S,2R)-2-methylcyclohexan-1-amine;cis-(1R,2S)-2-methylcyclohexan-1-amine;(3S,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-yl)piperidin-4-amine;4-[[(1R,2R)-2-methylcyclohexyl]methyl]oxane;4-[[(1S,2S)-2-methylcyclohexyl]methyl]oxane;(3S,4S)-3-methyl-4-(oxan-4-ylmethyl)piperidine;bis((3R,4R)-3-methyl-4-(oxan-4-ylmethyl)piperidine);bis(oxan-4-one).
What is the SMILES notation for 5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;cis-(1S,2R)-2-methylcyclohexan-1-amine;cis-(1R,2S)-2-methylcyclohexan-1-amine;(3S,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-yl)piperidin-4-amine;4-[[(1R,2R)-2-methylcyclohexyl]methyl]oxane;4-[[(1S,2S)-2-methylcyclohexyl]methyl]oxane;(3S,4S)-3-methyl-4-(oxan-4-ylmethyl)piperidine;bis((3R,4R)-3-methyl-4-(oxan-4-ylmethyl)piperidine);bis(oxan-4-one)?
The canonical SMILES for 5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;cis-(1S,2R)-2-methylcyclohexan-1-amine;cis-(1R,2S)-2-methylcyclohexan-1-amine;(3S,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-yl)piperidin-4-amine;4-[[(1R,2R)-2-methylcyclohexyl]methyl]oxane;4-[[(1S,2S)-2-methylcyclohexyl]methyl]oxane;(3S,4S)-3-methyl-4-(oxan-4-ylmethyl)piperidine;bis((3R,4R)-3-methyl-4-(oxan-4-ylmethyl)piperidine);bis(oxan-4-one) is CCc1cc(F)c2nc(Cl)c(-c3nc(C)no3)c(C)c2c1.CCc1cc(F)c2nc(N3CC[C@@H](NC4CCOCC4)[C@@H](C)C3)c(-c3nc(C)no3)c(C)c2c1.C[C@@H]1CCCC[C@@H]1CC1CCOCC1.C[C@@H]1CCCC[C@@H]1N.C[C@@H]1CNCC[C@@H]1CC1CCOCC1.C[C@H]1CCCC[C@H]1CC1CCOCC1.C[C@H]1CCCC[C@H]1N.C[C@H]1CNCC[C@H]1CC1CCOCC1.C[C@H]1CNCC[C@H]1CC1CCOCC1.O=C1CCOCC1.O=C1CCOCC1.
What is the InChIKey of 5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;cis-(1S,2R)-2-methylcyclohexan-1-amine;cis-(1R,2S)-2-methylcyclohexan-1-amine;(3S,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-yl)piperidin-4-amine;4-[[(1R,2R)-2-methylcyclohexyl]methyl]oxane;4-[[(1S,2S)-2-methylcyclohexyl]methyl]oxane;(3S,4S)-3-methyl-4-(oxan-4-ylmethyl)piperidine;bis((3R,4R)-3-methyl-4-(oxan-4-ylmethyl)piperidine);bis(oxan-4-one)?
The InChIKey is JFWZCQPAWSHXEG-REVDXYTFSA-N. The full InChI is InChI=1S/C26H34FN5O2.C15H13ClFN3O.2C13H24O.3C12H23NO.2C7H15N.2C5H8O2/c1-5-18-12-20-16(3)23(26-28-17(4)31-34-26)25(30-24(20)21(27)13-18)32-9-6-22(15(2)14-32)29-19-7-10-33-11-8-19;1-4-9-5-10-7(2)12(15-18-8(3)20-21-15)14(16)19-13(10)11(17)6-9;2*1-11-4-2-3-5-13(11)10-12-6-8-14-9-7-12;3*1-10-9-13-5-2-12(10)8-11-3-6-14-7-4-11;2*1-6-4-2-3-5-7(6)8;2*6-5-1-3-7-4-2-5/h12-13,15,19,22,29H,5-11,14H2,1-4H3;5-6H,4H2,1-3H3;2*11-13H,2-10H2,1H3;3*10-13H,2-9H2,1H3;2*6-7H,2-5,8H2,1H3;2*1-4H2/t15-,22+;;2*11-,13-;3*10-,12-;2*6-,7+;;/m0.1010010../s1.
What are the key properties of 5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;cis-(1S,2R)-2-methylcyclohexan-1-amine;cis-(1R,2S)-2-methylcyclohexan-1-amine;(3S,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-yl)piperidin-4-amine;4-[[(1R,2R)-2-methylcyclohexyl]methyl]oxane;4-[[(1S,2S)-2-methylcyclohexyl]methyl]oxane;(3S,4S)-3-methyl-4-(oxan-4-ylmethyl)piperidine;bis((3R,4R)-3-methyl-4-(oxan-4-ylmethyl)piperidine);bis(oxan-4-one)?
5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;cis-(1S,2R)-2-methylcyclohexan-1-amine;cis-(1R,2S)-2-methylcyclohexan-1-amine;(3S,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-yl)piperidin-4-amine;4-[[(1R,2R)-2-methylcyclohexyl]methyl]oxane;4-[[(1S,2S)-2-methylcyclohexyl]methyl]oxane;(3S,4S)-3-methyl-4-(oxan-4-ylmethyl)piperidine;bis((3R,4R)-3-methyl-4-(oxan-4-ylmethyl)piperidine);bis(oxan-4-one) has a molecular weight of 2184.60 g/mol, XLogP of 26.03, 17 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;cis-(1S,2R)-2-methylcyclohexan-1-amine;cis-(1R,2S)-2-methylcyclohexan-1-amine;(3S,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-yl)piperidin-4-amine;4-[[(1R,2R)-2-methylcyclohexyl]methyl]oxane;4-[[(1S,2S)-2-methylcyclohexyl]methyl]oxane;(3S,4S)-3-methyl-4-(oxan-4-ylmethyl)piperidine;bis((3R,4R)-3-methyl-4-(oxan-4-ylmethyl)piperidine);bis(oxan-4-one) is sourced from PubChem (CID 158904696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).