6-butoxy-2-(4-decylphenyl)quinoline;2-(4-decylphenyl)-6-octylquinoxaline;6-methoxy-2-(4-pentylphenyl)quinoline;2-(4-methylphenyl)-6-pentoxyquinoline;6-nonyl-2-(4-nonylphenyl)quinoxaline

C135H177N7O3 — CID 91139726

IUPAC6-butoxy-2-(4-decylphenyl)quinoline;2-(4-decylphenyl)-6-octylquinoxaline;6-methoxy-2-(4-pentylphenyl)quinoline;2-(4-methylphenyl)-6-pentoxyquinoline;6-nonyl-2-(4-nonylphenyl)quinoxaline
SMILESCCCCCCCCCCc1ccc(-c2ccc3cc(OCCCC)ccc3n2)cc1.CCCCCCCCCCc1ccc(-c2cnc3cc(CCCCCCCC)ccc3n2)cc1.CCCCCCCCCc1ccc(-c2cnc3cc(CCCCCCCCC)ccc3n2)cc1.CCCCCOc1ccc2nc(-c3ccc(C)cc3)ccc2c1.CCCCCc1ccc(-c2ccc3cc(OC)ccc3n2)cc1
InChIInChI=1S/2C32H46N2.C29H39NO.2C21H23NO/c1-3-5-7-9-11-12-14-15-17-27-19-22-29(23-20-27)32-26-33-31-25-28(21-24-30(31)34-32)18-16-13-10-8-6-4-2;1-3-5-7-9-11-13-15-17-27-19-22-29(23-20-27)32-26-33-31-25-28(21-24-30(31)34-32)18-16-14-12-10-8-6-4-2;1-3-5-7-8-9-10-11-12-13-24-14-16-25(17-15-24)28-20-18-26-23-27(31-22-6-4-2)19-21-29(26)30-28;1-3-4-5-14-23-19-11-13-21-18(15-19)10-12-20(22-21)17-8-6-16(2)7-9-17;1-3-4-5-6-16-7-9-17(10-8-16)20-13-11-18-15-19(23-2)12-14-21(18)22-20/h2*19-26H,3-18H2,1-2H3;14-21,23H,3-13,22H2,1-2H3;6-13,15H,3-5,14H2,1-2H3;7-15H,3-6H2,1-2H3
InChIKeySUBLDHVBVSJPMN-UHFFFAOYSA-N
MW1945.95 g/mol
LogP39.95
Rot. Bonds60

About 6-butoxy-2-(4-decylphenyl)quinoline;2-(4-decylphenyl)-6-octylquinoxaline;6-methoxy-2-(4-pentylphenyl)quinoline;2-(4-methylphenyl)-6-pentoxyquinoline;6-nonyl-2-(4-nonylphenyl)quinoxaline

6-butoxy-2-(4-decylphenyl)quinoline;2-(4-decylphenyl)-6-octylquinoxaline;6-methoxy-2-(4-pentylphenyl)quinoline;2-(4-methylphenyl)-6-pentoxyquinoline;6-nonyl-2-(4-nonylphenyl)quinoxaline (PubChem CID 91139726) has the molecular formula C135H177N7O3 and a molecular weight of 1945.95 g/mol. Its IUPAC name is 6-butoxy-2-(4-decylphenyl)quinoline;2-(4-decylphenyl)-6-octylquinoxaline;6-methoxy-2-(4-pentylphenyl)quinoline;2-(4-methylphenyl)-6-pentoxyquinoline;6-nonyl-2-(4-nonylphenyl)quinoxaline.

Molecular Properties

Compound Name6-butoxy-2-(4-decylphenyl)quinoline;2-(4-decylphenyl)-6-octylquinoxaline;6-methoxy-2-(4-pentylphenyl)quinoline;2-(4-methylphenyl)-6-pentoxyquinoline;6-nonyl-2-(4-nonylphenyl)quinoxaline
PubChem CID91139726
Molecular FormulaC135H177N7O3
Molecular Weight1945.95 g/mol
Exact Mass1944.39
IUPAC Name6-butoxy-2-(4-decylphenyl)quinoline;2-(4-decylphenyl)-6-octylquinoxaline;6-methoxy-2-(4-pentylphenyl)quinoline;2-(4-methylphenyl)-6-pentoxyquinoline;6-nonyl-2-(4-nonylphenyl)quinoxaline
SMILESCCCCCCCCCCc1ccc(-c2ccc3cc(OCCCC)ccc3n2)cc1.CCCCCCCCCCc1ccc(-c2cnc3cc(CCCCCCCC)ccc3n2)cc1.CCCCCCCCCc1ccc(-c2cnc3cc(CCCCCCCCC)ccc3n2)cc1.CCCCCOc1ccc2nc(-c3ccc(C)cc3)ccc2c1.CCCCCc1ccc(-c2ccc3cc(OC)ccc3n2)cc1
InChIInChI=1S/2C32H46N2.C29H39NO.2C21H23NO/c1-3-5-7-9-11-12-14-15-17-27-19-22-29(23-20-27)32-26-33-31-25-28(21-24-30(31)34-32)18-16-13-10-8-6-4-2;1-3-5-7-9-11-13-15-17-27-19-22-29(23-20-27)32-26-33-31-25-28(21-24-30(31)34-32)18-16-14-12-10-8-6-4-2;1-3-5-7-8-9-10-11-12-13-24-14-16-25(17-15-24)28-20-18-26-23-27(31-22-6-4-2)19-21-29(26)30-28;1-3-4-5-14-23-19-11-13-21-18(15-19)10-12-20(22-21)17-8-6-16(2)7-9-17;1-3-4-5-6-16-7-9-17(10-8-16)20-13-11-18-15-19(23-2)12-14-21(18)22-20/h2*19-26H,3-18H2,1-2H3;14-21,23H,3-13,22H2,1-2H3;6-13,15H,3-5,14H2,1-2H3;7-15H,3-6H2,1-2H3
InChIKeySUBLDHVBVSJPMN-UHFFFAOYSA-N
XLogP39.95
TPSA117.92 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds60
Heavy Atoms145
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001945.95
LogP ≤ 539.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6-butoxy-2-(4-decylphenyl)quinoline;2-(4-decylphenyl)-6-octylquinoxaline;6-methoxy-2-(4-pentylphenyl)quinoline;2-(4-methylphenyl)-6-pentoxyquinoline;6-nonyl-2-(4-nonylphenyl)quinoxaline with MolForge

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Launch Full Analysis

Related Compounds

5-Fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)Quinoline
CID 12004142
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2-methylquinoline
CID 12004197
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-3-methylquinoline
CID 12004199
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-4-methylquinoline
CID 12004200
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2,4-dimethylquinoline
CID 12004201
3,5-Difluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}quinoline
CID 12004280
6-Methoxy-8-{4-[1-(8-quinolinyl)-4-piperidinyl]-1-piperazinyl}quinoline
CID 16091081
3-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}Quinoline
CID 46238348
7-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}Quinoline
CID 12004114
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-3-(trifluoromethyl)Quinoline
CID 12004116
5-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2,4-dimethylquinoline
CID 12004223
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2-(trifluoromethyl)Quinoline
CID 12004224

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-2-(4-decylphenyl)quinoline;2-(4-decylphenyl)-6-octylquinoxaline;6-methoxy-2-(4-pentylphenyl)quinoline;2-(4-methylphenyl)-6-pentoxyquinoline;6-nonyl-2-(4-nonylphenyl)quinoxaline?
The IUPAC name of 6-butoxy-2-(4-decylphenyl)quinoline;2-(4-decylphenyl)-6-octylquinoxaline;6-methoxy-2-(4-pentylphenyl)quinoline;2-(4-methylphenyl)-6-pentoxyquinoline;6-nonyl-2-(4-nonylphenyl)quinoxaline (CID 91139726) is 6-butoxy-2-(4-decylphenyl)quinoline;2-(4-decylphenyl)-6-octylquinoxaline;6-methoxy-2-(4-pentylphenyl)quinoline;2-(4-methylphenyl)-6-pentoxyquinoline;6-nonyl-2-(4-nonylphenyl)quinoxaline.
What is the SMILES notation for 6-butoxy-2-(4-decylphenyl)quinoline;2-(4-decylphenyl)-6-octylquinoxaline;6-methoxy-2-(4-pentylphenyl)quinoline;2-(4-methylphenyl)-6-pentoxyquinoline;6-nonyl-2-(4-nonylphenyl)quinoxaline?
The canonical SMILES for 6-butoxy-2-(4-decylphenyl)quinoline;2-(4-decylphenyl)-6-octylquinoxaline;6-methoxy-2-(4-pentylphenyl)quinoline;2-(4-methylphenyl)-6-pentoxyquinoline;6-nonyl-2-(4-nonylphenyl)quinoxaline is CCCCCCCCCCc1ccc(-c2ccc3cc(OCCCC)ccc3n2)cc1.CCCCCCCCCCc1ccc(-c2cnc3cc(CCCCCCCC)ccc3n2)cc1.CCCCCCCCCc1ccc(-c2cnc3cc(CCCCCCCCC)ccc3n2)cc1.CCCCCOc1ccc2nc(-c3ccc(C)cc3)ccc2c1.CCCCCc1ccc(-c2ccc3cc(OC)ccc3n2)cc1.
What is the InChIKey of 6-butoxy-2-(4-decylphenyl)quinoline;2-(4-decylphenyl)-6-octylquinoxaline;6-methoxy-2-(4-pentylphenyl)quinoline;2-(4-methylphenyl)-6-pentoxyquinoline;6-nonyl-2-(4-nonylphenyl)quinoxaline?
The InChIKey is SUBLDHVBVSJPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H46N2.C29H39NO.2C21H23NO/c1-3-5-7-9-11-12-14-15-17-27-19-22-29(23-20-27)32-26-33-31-25-28(21-24-30(31)34-32)18-16-13-10-8-6-4-2;1-3-5-7-9-11-13-15-17-27-19-22-29(23-20-27)32-26-33-31-25-28(21-24-30(31)34-32)18-16-14-12-10-8-6-4-2;1-3-5-7-8-9-10-11-12-13-24-14-16-25(17-15-24)28-20-18-26-23-27(31-22-6-4-2)19-21-29(26)30-28;1-3-4-5-14-23-19-11-13-21-18(15-19)10-12-20(22-21)17-8-6-16(2)7-9-17;1-3-4-5-6-16-7-9-17(10-8-16)20-13-11-18-15-19(23-2)12-14-21(18)22-20/h2*19-26H,3-18H2,1-2H3;14-21,23H,3-13,22H2,1-2H3;6-13,15H,3-5,14H2,1-2H3;7-15H,3-6H2,1-2H3.
What are the key properties of 6-butoxy-2-(4-decylphenyl)quinoline;2-(4-decylphenyl)-6-octylquinoxaline;6-methoxy-2-(4-pentylphenyl)quinoline;2-(4-methylphenyl)-6-pentoxyquinoline;6-nonyl-2-(4-nonylphenyl)quinoxaline?
6-butoxy-2-(4-decylphenyl)quinoline;2-(4-decylphenyl)-6-octylquinoxaline;6-methoxy-2-(4-pentylphenyl)quinoline;2-(4-methylphenyl)-6-pentoxyquinoline;6-nonyl-2-(4-nonylphenyl)quinoxaline has a molecular weight of 1945.95 g/mol, XLogP of 39.95, 60 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-2-(4-decylphenyl)quinoline;2-(4-decylphenyl)-6-octylquinoxaline;6-methoxy-2-(4-pentylphenyl)quinoline;2-(4-methylphenyl)-6-pentoxyquinoline;6-nonyl-2-(4-nonylphenyl)quinoxaline is sourced from PubChem (CID 91139726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).