N-[(1R)-1-cyclohexylethyl]-4-fluoro-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-4-fluoro-3-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-2-methyl-3-quinolin-4-yloxybenzamide

C74H80F2N6O7 — CID 167538602

IUPACN-[(1R)-1-cyclohexylethyl]-4-fluoro-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-4-fluoro-3-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-2-methyl-3-quinolin-4-yloxybenzamide
SMILESCOc1cc2c(Oc3cc(C(=O)N[C@H](C)C4CCCCC4)ccc3F)ccnc2cc1C.C[C@@H](NC(=O)c1ccc(F)c(Oc2ccnc3ccccc23)c1)C1CCCCC1.Cc1c(Oc2ccnc3ccccc23)cccc1C(=O)NCC1CCCCC1
InChIInChI=1S/C26H29FN2O3.C24H25FN2O2.C24H26N2O2/c1-16-13-22-20(15-24(16)31-3)23(11-12-28-22)32-25-14-19(9-10-21(25)27)26(30)29-17(2)18-7-5-4-6-8-18;1-16(17-7-3-2-4-8-17)27-24(28)18-11-12-20(25)23(15-18)29-22-13-14-26-21-10-6-5-9-19(21)22;1-17-19(24(27)26-16-18-8-3-2-4-9-18)11-7-13-22(17)28-23-14-15-25-21-12-6-5-10-20(21)23/h9-15,17-18H,4-8H2,1-3H3,(H,29,30);5-6,9-17H,2-4,7-8H2,1H3,(H,27,28);5-7,10-15,18H,2-4,8-9,16H2,1H3,(H,26,27)/t17-;16-;/m11./s1
InChIKeyAWKLTKJRECTVQK-PEZCWJMCSA-N
MW1203.48 g/mol
LogP17.69
Rot. Bonds16

About N-[(1R)-1-cyclohexylethyl]-4-fluoro-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-4-fluoro-3-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-2-methyl-3-quinolin-4-yloxybenzamide

N-[(1R)-1-cyclohexylethyl]-4-fluoro-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-4-fluoro-3-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-2-methyl-3-quinolin-4-yloxybenzamide (PubChem CID 167538602) has the molecular formula C74H80F2N6O7 and a molecular weight of 1203.48 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]-4-fluoro-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-4-fluoro-3-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-2-methyl-3-quinolin-4-yloxybenzamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]-4-fluoro-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-4-fluoro-3-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-2-methyl-3-quinolin-4-yloxybenzamide
PubChem CID167538602
Molecular FormulaC74H80F2N6O7
Molecular Weight1203.48 g/mol
Exact Mass1202.61
IUPAC NameN-[(1R)-1-cyclohexylethyl]-4-fluoro-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-4-fluoro-3-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-2-methyl-3-quinolin-4-yloxybenzamide
SMILESCOc1cc2c(Oc3cc(C(=O)N[C@H](C)C4CCCCC4)ccc3F)ccnc2cc1C.C[C@@H](NC(=O)c1ccc(F)c(Oc2ccnc3ccccc23)c1)C1CCCCC1.Cc1c(Oc2ccnc3ccccc23)cccc1C(=O)NCC1CCCCC1
InChIInChI=1S/C26H29FN2O3.C24H25FN2O2.C24H26N2O2/c1-16-13-22-20(15-24(16)31-3)23(11-12-28-22)32-25-14-19(9-10-21(25)27)26(30)29-17(2)18-7-5-4-6-8-18;1-16(17-7-3-2-4-8-17)27-24(28)18-11-12-20(25)23(15-18)29-22-13-14-26-21-10-6-5-9-19(21)22;1-17-19(24(27)26-16-18-8-3-2-4-9-18)11-7-13-22(17)28-23-14-15-25-21-12-6-5-10-20(21)23/h9-15,17-18H,4-8H2,1-3H3,(H,29,30);5-6,9-17H,2-4,7-8H2,1H3,(H,27,28);5-7,10-15,18H,2-4,8-9,16H2,1H3,(H,26,27)/t17-;16-;/m11./s1
InChIKeyAWKLTKJRECTVQK-PEZCWJMCSA-N
XLogP17.69
TPSA162.89 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001203.48
LogP ≤ 517.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[(1R)-1-cyclohexylethyl]-4-fluoro-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-4-fluoro-3-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-2-methyl-3-quinolin-4-yloxybenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexylethyl]-4-fluoro-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-4-fluoro-3-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-2-methyl-3-quinolin-4-yloxybenzamide?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]-4-fluoro-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-4-fluoro-3-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-2-methyl-3-quinolin-4-yloxybenzamide (CID 167538602) is N-[(1R)-1-cyclohexylethyl]-4-fluoro-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-4-fluoro-3-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-2-methyl-3-quinolin-4-yloxybenzamide.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-4-fluoro-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-4-fluoro-3-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-2-methyl-3-quinolin-4-yloxybenzamide?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-4-fluoro-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-4-fluoro-3-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-2-methyl-3-quinolin-4-yloxybenzamide is COc1cc2c(Oc3cc(C(=O)N[C@H](C)C4CCCCC4)ccc3F)ccnc2cc1C.C[C@@H](NC(=O)c1ccc(F)c(Oc2ccnc3ccccc23)c1)C1CCCCC1.Cc1c(Oc2ccnc3ccccc23)cccc1C(=O)NCC1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-4-fluoro-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-4-fluoro-3-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-2-methyl-3-quinolin-4-yloxybenzamide?
The InChIKey is AWKLTKJRECTVQK-PEZCWJMCSA-N. The full InChI is InChI=1S/C26H29FN2O3.C24H25FN2O2.C24H26N2O2/c1-16-13-22-20(15-24(16)31-3)23(11-12-28-22)32-25-14-19(9-10-21(25)27)26(30)29-17(2)18-7-5-4-6-8-18;1-16(17-7-3-2-4-8-17)27-24(28)18-11-12-20(25)23(15-18)29-22-13-14-26-21-10-6-5-9-19(21)22;1-17-19(24(27)26-16-18-8-3-2-4-9-18)11-7-13-22(17)28-23-14-15-25-21-12-6-5-10-20(21)23/h9-15,17-18H,4-8H2,1-3H3,(H,29,30);5-6,9-17H,2-4,7-8H2,1H3,(H,27,28);5-7,10-15,18H,2-4,8-9,16H2,1H3,(H,26,27)/t17-;16-;/m11./s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]-4-fluoro-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-4-fluoro-3-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-2-methyl-3-quinolin-4-yloxybenzamide?
N-[(1R)-1-cyclohexylethyl]-4-fluoro-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-4-fluoro-3-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-2-methyl-3-quinolin-4-yloxybenzamide has a molecular weight of 1203.48 g/mol, XLogP of 17.69, 16 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexylethyl]-4-fluoro-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide;N-[(1R)-1-cyclohexylethyl]-4-fluoro-3-quinolin-4-yloxybenzamide;N-(cyclohexylmethyl)-2-methyl-3-quinolin-4-yloxybenzamide is sourced from PubChem (CID 167538602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).