N-hexyl-2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetamide;N-hexyl-2-isoquinolin-3-ylacetamide;N-hexyl-2-(6-methoxy-4-phenylquinolin-3-yl)acetamide;N-hexyl-2-(4-phenylquinolin-3-yl)acetamide;2-(6-methoxy-4-phenylquinolin-3-yl)-N-pentylacetamide;N-pentyl-2-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]acetamide

C141H162N12O10 — CID 159139185

IUPACN-hexyl-2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetamide;N-hexyl-2-isoquinolin-3-ylacetamide;N-hexyl-2-(6-methoxy-4-phenylquinolin-3-yl)acetamide;N-hexyl-2-(4-phenylquinolin-3-yl)acetamide;2-(6-methoxy-4-phenylquinolin-3-yl)-N-pentylacetamide;N-pentyl-2-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]acetamide
SMILESCCCCCCNC(=O)Cc1cc2ccccc2cn1.CCCCCCNC(=O)Cc1cnc2c(CCO)cccc2c1-c1ccccc1.CCCCCCNC(=O)Cc1cnc2ccc(OC)cc2c1-c1ccccc1.CCCCCCNC(=O)Cc1cnc2ccccc2c1-c1ccccc1.CCCCCNC(=O)Cc1cnc2ccc(OC)cc2c1-c1ccccc1.CCCCCNC(=O)Cc1cnc2ccccc2c1-c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C29H30N2O2.C25H30N2O2.C24H28N2O2.C23H26N2O2.C23H26N2O.C17H22N2O/c1-2-3-9-17-30-28(32)19-24-20-31-27-16-8-7-15-26(27)29(24)23-13-10-14-25(18-23)33-21-22-11-5-4-6-12-22;1-2-3-4-8-15-26-23(29)17-21-18-27-25-20(14-16-28)12-9-13-22(25)24(21)19-10-6-5-7-11-19;1-3-4-5-9-14-25-23(27)15-19-17-26-22-13-12-20(28-2)16-21(22)24(19)18-10-7-6-8-11-18;1-3-4-8-13-24-22(26)14-18-16-25-21-12-11-19(27-2)15-20(21)23(18)17-9-6-5-7-10-17;1-2-3-4-10-15-24-22(26)16-19-17-25-21-14-9-8-13-20(21)23(19)18-11-6-5-7-12-18;1-2-3-4-7-10-18-17(20)12-16-11-14-8-5-6-9-15(14)13-19-16/h4-8,10-16,18,20H,2-3,9,17,19,21H2,1H3,(H,30,32);5-7,9-13,18,28H,2-4,8,14-17H2,1H3,(H,26,29);6-8,10-13,16-17H,3-5,9,14-15H2,1-2H3,(H,25,27);5-7,9-12,15-16H,3-4,8,13-14H2,1-2H3,(H,24,26);5-9,11-14,17H,2-4,10,15-16H2,1H3,(H,24,26);5-6,8-9,11,13H,2-4,7,10,12H2,1H3,(H,18,20)
InChIKeyKHWPNSHRMCVONQ-UHFFFAOYSA-N
MW2184.92 g/mol
LogP29.53
Rot. Bonds52

About N-hexyl-2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetamide;N-hexyl-2-isoquinolin-3-ylacetamide;N-hexyl-2-(6-methoxy-4-phenylquinolin-3-yl)acetamide;N-hexyl-2-(4-phenylquinolin-3-yl)acetamide;2-(6-methoxy-4-phenylquinolin-3-yl)-N-pentylacetamide;N-pentyl-2-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]acetamide

N-hexyl-2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetamide;N-hexyl-2-isoquinolin-3-ylacetamide;N-hexyl-2-(6-methoxy-4-phenylquinolin-3-yl)acetamide;N-hexyl-2-(4-phenylquinolin-3-yl)acetamide;2-(6-methoxy-4-phenylquinolin-3-yl)-N-pentylacetamide;N-pentyl-2-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]acetamide (PubChem CID 159139185) has the molecular formula C141H162N12O10 and a molecular weight of 2184.92 g/mol. Its IUPAC name is N-hexyl-2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetamide;N-hexyl-2-isoquinolin-3-ylacetamide;N-hexyl-2-(6-methoxy-4-phenylquinolin-3-yl)acetamide;N-hexyl-2-(4-phenylquinolin-3-yl)acetamide;2-(6-methoxy-4-phenylquinolin-3-yl)-N-pentylacetamide;N-pentyl-2-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]acetamide.

Molecular Properties

Compound NameN-hexyl-2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetamide;N-hexyl-2-isoquinolin-3-ylacetamide;N-hexyl-2-(6-methoxy-4-phenylquinolin-3-yl)acetamide;N-hexyl-2-(4-phenylquinolin-3-yl)acetamide;2-(6-methoxy-4-phenylquinolin-3-yl)-N-pentylacetamide;N-pentyl-2-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]acetamide
PubChem CID159139185
Molecular FormulaC141H162N12O10
Molecular Weight2184.92 g/mol
Exact Mass2183.25
IUPAC NameN-hexyl-2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetamide;N-hexyl-2-isoquinolin-3-ylacetamide;N-hexyl-2-(6-methoxy-4-phenylquinolin-3-yl)acetamide;N-hexyl-2-(4-phenylquinolin-3-yl)acetamide;2-(6-methoxy-4-phenylquinolin-3-yl)-N-pentylacetamide;N-pentyl-2-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]acetamide
SMILESCCCCCCNC(=O)Cc1cc2ccccc2cn1.CCCCCCNC(=O)Cc1cnc2c(CCO)cccc2c1-c1ccccc1.CCCCCCNC(=O)Cc1cnc2ccc(OC)cc2c1-c1ccccc1.CCCCCCNC(=O)Cc1cnc2ccccc2c1-c1ccccc1.CCCCCNC(=O)Cc1cnc2ccc(OC)cc2c1-c1ccccc1.CCCCCNC(=O)Cc1cnc2ccccc2c1-c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C29H30N2O2.C25H30N2O2.C24H28N2O2.C23H26N2O2.C23H26N2O.C17H22N2O/c1-2-3-9-17-30-28(32)19-24-20-31-27-16-8-7-15-26(27)29(24)23-13-10-14-25(18-23)33-21-22-11-5-4-6-12-22;1-2-3-4-8-15-26-23(29)17-21-18-27-25-20(14-16-28)12-9-13-22(25)24(21)19-10-6-5-7-11-19;1-3-4-5-9-14-25-23(27)15-19-17-26-22-13-12-20(28-2)16-21(22)24(19)18-10-7-6-8-11-18;1-3-4-8-13-24-22(26)14-18-16-25-21-12-11-19(27-2)15-20(21)23(18)17-9-6-5-7-10-17;1-2-3-4-10-15-24-22(26)16-19-17-25-21-14-9-8-13-20(21)23(19)18-11-6-5-7-12-18;1-2-3-4-7-10-18-17(20)12-16-11-14-8-5-6-9-15(14)13-19-16/h4-8,10-16,18,20H,2-3,9,17,19,21H2,1H3,(H,30,32);5-7,9-13,18,28H,2-4,8,14-17H2,1H3,(H,26,29);6-8,10-13,16-17H,3-5,9,14-15H2,1-2H3,(H,25,27);5-7,9-12,15-16H,3-4,8,13-14H2,1-2H3,(H,24,26);5-9,11-14,17H,2-4,10,15-16H2,1H3,(H,24,26);5-6,8-9,11,13H,2-4,7,10,12H2,1H3,(H,18,20)
InChIKeyKHWPNSHRMCVONQ-UHFFFAOYSA-N
XLogP29.53
TPSA299.86 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds52
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002184.92
LogP ≤ 529.53
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-hexyl-2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetamide;N-hexyl-2-isoquinolin-3-ylacetamide;N-hexyl-2-(6-methoxy-4-phenylquinolin-3-yl)acetamide;N-hexyl-2-(4-phenylquinolin-3-yl)acetamide;2-(6-methoxy-4-phenylquinolin-3-yl)-N-pentylacetamide;N-pentyl-2-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetamide;N-hexyl-2-isoquinolin-3-ylacetamide;N-hexyl-2-(6-methoxy-4-phenylquinolin-3-yl)acetamide;N-hexyl-2-(4-phenylquinolin-3-yl)acetamide;2-(6-methoxy-4-phenylquinolin-3-yl)-N-pentylacetamide;N-pentyl-2-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]acetamide?
The IUPAC name of N-hexyl-2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetamide;N-hexyl-2-isoquinolin-3-ylacetamide;N-hexyl-2-(6-methoxy-4-phenylquinolin-3-yl)acetamide;N-hexyl-2-(4-phenylquinolin-3-yl)acetamide;2-(6-methoxy-4-phenylquinolin-3-yl)-N-pentylacetamide;N-pentyl-2-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]acetamide (CID 159139185) is N-hexyl-2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetamide;N-hexyl-2-isoquinolin-3-ylacetamide;N-hexyl-2-(6-methoxy-4-phenylquinolin-3-yl)acetamide;N-hexyl-2-(4-phenylquinolin-3-yl)acetamide;2-(6-methoxy-4-phenylquinolin-3-yl)-N-pentylacetamide;N-pentyl-2-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]acetamide.
What is the SMILES notation for N-hexyl-2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetamide;N-hexyl-2-isoquinolin-3-ylacetamide;N-hexyl-2-(6-methoxy-4-phenylquinolin-3-yl)acetamide;N-hexyl-2-(4-phenylquinolin-3-yl)acetamide;2-(6-methoxy-4-phenylquinolin-3-yl)-N-pentylacetamide;N-pentyl-2-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]acetamide?
The canonical SMILES for N-hexyl-2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetamide;N-hexyl-2-isoquinolin-3-ylacetamide;N-hexyl-2-(6-methoxy-4-phenylquinolin-3-yl)acetamide;N-hexyl-2-(4-phenylquinolin-3-yl)acetamide;2-(6-methoxy-4-phenylquinolin-3-yl)-N-pentylacetamide;N-pentyl-2-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]acetamide is CCCCCCNC(=O)Cc1cc2ccccc2cn1.CCCCCCNC(=O)Cc1cnc2c(CCO)cccc2c1-c1ccccc1.CCCCCCNC(=O)Cc1cnc2ccc(OC)cc2c1-c1ccccc1.CCCCCCNC(=O)Cc1cnc2ccccc2c1-c1ccccc1.CCCCCNC(=O)Cc1cnc2ccc(OC)cc2c1-c1ccccc1.CCCCCNC(=O)Cc1cnc2ccccc2c1-c1cccc(OCc2ccccc2)c1.
What is the InChIKey of N-hexyl-2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetamide;N-hexyl-2-isoquinolin-3-ylacetamide;N-hexyl-2-(6-methoxy-4-phenylquinolin-3-yl)acetamide;N-hexyl-2-(4-phenylquinolin-3-yl)acetamide;2-(6-methoxy-4-phenylquinolin-3-yl)-N-pentylacetamide;N-pentyl-2-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]acetamide?
The InChIKey is KHWPNSHRMCVONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O2.C25H30N2O2.C24H28N2O2.C23H26N2O2.C23H26N2O.C17H22N2O/c1-2-3-9-17-30-28(32)19-24-20-31-27-16-8-7-15-26(27)29(24)23-13-10-14-25(18-23)33-21-22-11-5-4-6-12-22;1-2-3-4-8-15-26-23(29)17-21-18-27-25-20(14-16-28)12-9-13-22(25)24(21)19-10-6-5-7-11-19;1-3-4-5-9-14-25-23(27)15-19-17-26-22-13-12-20(28-2)16-21(22)24(19)18-10-7-6-8-11-18;1-3-4-8-13-24-22(26)14-18-16-25-21-12-11-19(27-2)15-20(21)23(18)17-9-6-5-7-10-17;1-2-3-4-10-15-24-22(26)16-19-17-25-21-14-9-8-13-20(21)23(19)18-11-6-5-7-12-18;1-2-3-4-7-10-18-17(20)12-16-11-14-8-5-6-9-15(14)13-19-16/h4-8,10-16,18,20H,2-3,9,17,19,21H2,1H3,(H,30,32);5-7,9-13,18,28H,2-4,8,14-17H2,1H3,(H,26,29);6-8,10-13,16-17H,3-5,9,14-15H2,1-2H3,(H,25,27);5-7,9-12,15-16H,3-4,8,13-14H2,1-2H3,(H,24,26);5-9,11-14,17H,2-4,10,15-16H2,1H3,(H,24,26);5-6,8-9,11,13H,2-4,7,10,12H2,1H3,(H,18,20).
What are the key properties of N-hexyl-2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetamide;N-hexyl-2-isoquinolin-3-ylacetamide;N-hexyl-2-(6-methoxy-4-phenylquinolin-3-yl)acetamide;N-hexyl-2-(4-phenylquinolin-3-yl)acetamide;2-(6-methoxy-4-phenylquinolin-3-yl)-N-pentylacetamide;N-pentyl-2-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]acetamide?
N-hexyl-2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetamide;N-hexyl-2-isoquinolin-3-ylacetamide;N-hexyl-2-(6-methoxy-4-phenylquinolin-3-yl)acetamide;N-hexyl-2-(4-phenylquinolin-3-yl)acetamide;2-(6-methoxy-4-phenylquinolin-3-yl)-N-pentylacetamide;N-pentyl-2-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]acetamide has a molecular weight of 2184.92 g/mol, XLogP of 29.53, 52 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetamide;N-hexyl-2-isoquinolin-3-ylacetamide;N-hexyl-2-(6-methoxy-4-phenylquinolin-3-yl)acetamide;N-hexyl-2-(4-phenylquinolin-3-yl)acetamide;2-(6-methoxy-4-phenylquinolin-3-yl)-N-pentylacetamide;N-pentyl-2-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]acetamide is sourced from PubChem (CID 159139185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).