N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-(7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-(cyclohexylmethyl)-4-methyl-3-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-3-quinolin-4-yloxybenzamide

C147H159F3N12O14 — CID 167543645

IUPACN-[(1R)-1-cyclohexylethyl]-3-fluoro-5-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-(7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-(cyclohexylmethyl)-4-methyl-3-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-3-quinolin-4-yloxybenzamide
SMILESCOc1cc2c(Oc3cc(F)cc(C(=O)N[C@H](C)C4CCCCC4)c3)ccnc2cc1C.COc1cc2c(Oc3cccc(C(=O)NCC4CCCCC4)c3)ccnc2cc1C.C[C@@H](NC(=O)c1cc(F)cc(Oc2ccnc3ccccc23)c1)C1CCCCC1.Cc1ccc(C(=O)NCC2CCCCC2)cc1Oc1ccnc2ccccc12.Cc1ccc2c(Oc3cc(F)cc(C(=O)N[C@H](C)C4CCCCC4)c3)ccnc2c1.O=C(NCC1CCCCC1)c1cccc(Oc2ccnc3ccccc23)c1
InChIInChI=1S/C26H29FN2O3.C25H27FN2O2.C25H28N2O3.C24H25FN2O2.C24H26N2O2.C23H24N2O2/c1-16-11-23-22(15-25(16)31-3)24(9-10-28-23)32-21-13-19(12-20(27)14-21)26(30)29-17(2)18-7-5-4-6-8-18;1-16-8-9-22-23(12-16)27-11-10-24(22)30-21-14-19(13-20(26)15-21)25(29)28-17(2)18-6-4-3-5-7-18;1-17-13-22-21(15-24(17)29-2)23(11-12-26-22)30-20-10-6-9-19(14-20)25(28)27-16-18-7-4-3-5-8-18;1-16(17-7-3-2-4-8-17)27-24(28)18-13-19(25)15-20(14-18)29-23-11-12-26-22-10-6-5-9-21(22)23;1-17-11-12-19(24(27)26-16-18-7-3-2-4-8-18)15-23(17)28-22-13-14-25-21-10-6-5-9-20(21)22;26-23(25-16-17-7-2-1-3-8-17)18-9-6-10-19(15-18)27-22-13-14-24-21-12-5-4-11-20(21)22/h9-15,17-18H,4-8H2,1-3H3,(H,29,30);8-15,17-18H,3-7H2,1-2H3,(H,28,29);6,9-15,18H,3-5,7-8,16H2,1-2H3,(H,27,28);5-6,9-17H,2-4,7-8H2,1H3,(H,27,28);5-6,9-15,18H,2-4,7-8,16H2,1H3,(H,26,27);4-6,9-15,17H,1-3,7-8,16H2,(H,25,26)/t2*17-;;16-;;/m11.1../s1
InChIKeyBNBLSGGYKRCMQO-NEVGRKNMSA-N
MW2374.95 g/mol
LogP34.86
Rot. Bonds32

About N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-(7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-(cyclohexylmethyl)-4-methyl-3-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-3-quinolin-4-yloxybenzamide

N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-(7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-(cyclohexylmethyl)-4-methyl-3-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-3-quinolin-4-yloxybenzamide (PubChem CID 167543645) has the molecular formula C147H159F3N12O14 and a molecular weight of 2374.95 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-(7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-(cyclohexylmethyl)-4-methyl-3-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-3-quinolin-4-yloxybenzamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]-3-fluoro-5-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-(7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-(cyclohexylmethyl)-4-methyl-3-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-3-quinolin-4-yloxybenzamide
PubChem CID167543645
Molecular FormulaC147H159F3N12O14
Molecular Weight2374.95 g/mol
Exact Mass2373.21
IUPAC NameN-[(1R)-1-cyclohexylethyl]-3-fluoro-5-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-(7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-(cyclohexylmethyl)-4-methyl-3-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-3-quinolin-4-yloxybenzamide
SMILESCOc1cc2c(Oc3cc(F)cc(C(=O)N[C@H](C)C4CCCCC4)c3)ccnc2cc1C.COc1cc2c(Oc3cccc(C(=O)NCC4CCCCC4)c3)ccnc2cc1C.C[C@@H](NC(=O)c1cc(F)cc(Oc2ccnc3ccccc23)c1)C1CCCCC1.Cc1ccc(C(=O)NCC2CCCCC2)cc1Oc1ccnc2ccccc12.Cc1ccc2c(Oc3cc(F)cc(C(=O)N[C@H](C)C4CCCCC4)c3)ccnc2c1.O=C(NCC1CCCCC1)c1cccc(Oc2ccnc3ccccc23)c1
InChIInChI=1S/C26H29FN2O3.C25H27FN2O2.C25H28N2O3.C24H25FN2O2.C24H26N2O2.C23H24N2O2/c1-16-11-23-22(15-25(16)31-3)24(9-10-28-23)32-21-13-19(12-20(27)14-21)26(30)29-17(2)18-7-5-4-6-8-18;1-16-8-9-22-23(12-16)27-11-10-24(22)30-21-14-19(13-20(26)15-21)25(29)28-17(2)18-6-4-3-5-7-18;1-17-13-22-21(15-24(17)29-2)23(11-12-26-22)30-20-10-6-9-19(14-20)25(28)27-16-18-7-4-3-5-8-18;1-16(17-7-3-2-4-8-17)27-24(28)18-13-19(25)15-20(14-18)29-23-11-12-26-22-10-6-5-9-21(22)23;1-17-11-12-19(24(27)26-16-18-7-3-2-4-8-18)15-23(17)28-22-13-14-25-21-10-6-5-9-20(21)22;26-23(25-16-17-7-2-1-3-8-17)18-9-6-10-19(15-18)27-22-13-14-24-21-12-5-4-11-20(21)22/h9-15,17-18H,4-8H2,1-3H3,(H,29,30);8-15,17-18H,3-7H2,1-2H3,(H,28,29);6,9-15,18H,3-5,7-8,16H2,1-2H3,(H,27,28);5-6,9-17H,2-4,7-8H2,1H3,(H,27,28);5-6,9-15,18H,2-4,7-8,16H2,1H3,(H,26,27);4-6,9-15,17H,1-3,7-8,16H2,(H,25,26)/t2*17-;;16-;;/m11.1../s1
InChIKeyBNBLSGGYKRCMQO-NEVGRKNMSA-N
XLogP34.86
TPSA325.78 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds32
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002374.95
LogP ≤ 534.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-(7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-(cyclohexylmethyl)-4-methyl-3-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-3-quinolin-4-yloxybenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-(7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-(cyclohexylmethyl)-4-methyl-3-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-3-quinolin-4-yloxybenzamide?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-(7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-(cyclohexylmethyl)-4-methyl-3-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-3-quinolin-4-yloxybenzamide (CID 167543645) is N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-(7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-(cyclohexylmethyl)-4-methyl-3-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-3-quinolin-4-yloxybenzamide.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-(7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-(cyclohexylmethyl)-4-methyl-3-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-3-quinolin-4-yloxybenzamide?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-(7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-(cyclohexylmethyl)-4-methyl-3-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-3-quinolin-4-yloxybenzamide is COc1cc2c(Oc3cc(F)cc(C(=O)N[C@H](C)C4CCCCC4)c3)ccnc2cc1C.COc1cc2c(Oc3cccc(C(=O)NCC4CCCCC4)c3)ccnc2cc1C.C[C@@H](NC(=O)c1cc(F)cc(Oc2ccnc3ccccc23)c1)C1CCCCC1.Cc1ccc(C(=O)NCC2CCCCC2)cc1Oc1ccnc2ccccc12.Cc1ccc2c(Oc3cc(F)cc(C(=O)N[C@H](C)C4CCCCC4)c3)ccnc2c1.O=C(NCC1CCCCC1)c1cccc(Oc2ccnc3ccccc23)c1.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-(7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-(cyclohexylmethyl)-4-methyl-3-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-3-quinolin-4-yloxybenzamide?
The InChIKey is BNBLSGGYKRCMQO-NEVGRKNMSA-N. The full InChI is InChI=1S/C26H29FN2O3.C25H27FN2O2.C25H28N2O3.C24H25FN2O2.C24H26N2O2.C23H24N2O2/c1-16-11-23-22(15-25(16)31-3)24(9-10-28-23)32-21-13-19(12-20(27)14-21)26(30)29-17(2)18-7-5-4-6-8-18;1-16-8-9-22-23(12-16)27-11-10-24(22)30-21-14-19(13-20(26)15-21)25(29)28-17(2)18-6-4-3-5-7-18;1-17-13-22-21(15-24(17)29-2)23(11-12-26-22)30-20-10-6-9-19(14-20)25(28)27-16-18-7-4-3-5-8-18;1-16(17-7-3-2-4-8-17)27-24(28)18-13-19(25)15-20(14-18)29-23-11-12-26-22-10-6-5-9-21(22)23;1-17-11-12-19(24(27)26-16-18-7-3-2-4-8-18)15-23(17)28-22-13-14-25-21-10-6-5-9-20(21)22;26-23(25-16-17-7-2-1-3-8-17)18-9-6-10-19(15-18)27-22-13-14-24-21-12-5-4-11-20(21)22/h9-15,17-18H,4-8H2,1-3H3,(H,29,30);8-15,17-18H,3-7H2,1-2H3,(H,28,29);6,9-15,18H,3-5,7-8,16H2,1-2H3,(H,27,28);5-6,9-17H,2-4,7-8H2,1H3,(H,27,28);5-6,9-15,18H,2-4,7-8,16H2,1H3,(H,26,27);4-6,9-15,17H,1-3,7-8,16H2,(H,25,26)/t2*17-;;16-;;/m11.1../s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-(7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-(cyclohexylmethyl)-4-methyl-3-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-3-quinolin-4-yloxybenzamide?
N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-(7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-(cyclohexylmethyl)-4-methyl-3-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-3-quinolin-4-yloxybenzamide has a molecular weight of 2374.95 g/mol, XLogP of 34.86, 32 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-(7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-3-fluoro-5-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-(cyclohexylmethyl)-4-methyl-3-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-3-quinolin-4-yloxybenzamide is sourced from PubChem (CID 167543645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).