2-[(7R)-7-[3-chloro-5-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[6-(difluoromethoxy)-3-pyridinyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;methane;2-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[2-(trifluoromethyl)pyrimidin-5-yl]nonyl]-5,6,7,8-tetrahydroquinoline

C148H191Cl2F18N9O — CID 161272109

IUPAC2-[(7R)-7-[3-chloro-5-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[6-(difluoromethoxy)-3-pyridinyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;methane;2-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[2-(trifluoromethyl)pyrimidin-5-yl]nonyl]-5,6,7,8-tetrahydroquinoline
SMILESC.CCC(CCCCCCc1ccc2c(n1)CCCC2)c1ccc(Cl)c(C(F)(F)F)c1.CC[C@H](CCCCCCc1ccc2c(n1)CCCC2)c1cc(Cl)cc(C(F)(F)F)c1.CC[C@H](CCCCCCc1ccc2c(n1)CCCC2)c1ccc(F)c(C(F)(F)F)c1.CC[C@H](CCCCCCc1ccc2c(n1)CCCC2)c1ccc(OC(F)F)nc1.CC[C@H](CCCCCCc1ccc2c(n1)CCCC2)c1cccc(C(F)(F)F)c1.CC[C@H](CCCCCCc1ccc2c(n1)CCCC2)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/2C25H31ClF3N.C25H31F4N.C25H32F3N.C24H32F2N2O.C23H30F3N3.CH4/c1-2-18(20-14-16-23(26)22(17-20)25(27,28)29)9-5-3-4-6-11-21-15-13-19-10-7-8-12-24(19)30-21;1-2-18(20-15-21(25(27,28)29)17-22(26)16-20)9-5-3-4-6-11-23-14-13-19-10-7-8-12-24(19)30-23;1-2-18(20-14-16-23(26)22(17-20)25(27,28)29)9-5-3-4-6-11-21-15-13-19-10-7-8-12-24(19)30-21;1-2-19(21-12-9-13-22(18-21)25(26,27)28)10-5-3-4-6-14-23-17-16-20-11-7-8-15-24(20)29-23;1-2-18(20-14-16-23(27-17-20)29-24(25)26)9-5-3-4-6-11-21-15-13-19-10-7-8-12-22(19)28-21;1-2-17(19-15-27-22(28-16-19)23(24,25)26)9-5-3-4-6-11-20-14-13-18-10-7-8-12-21(18)29-20;/h3*13-18H,2-12H2,1H3;9,12-13,16-19H,2-8,10-11,14-15H2,1H3;13-18,24H,2-12H2,1H3;13-17H,2-12H2,1H3;1H4/t;2*18-;19-;18-;17-;/m.11111./s1
InChIKeyVDYMWQDAYILAQN-IHMOFHRWSA-N
MW2525.09 g/mol
LogP45.85
Rot. Bonds56

About 2-[(7R)-7-[3-chloro-5-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[6-(difluoromethoxy)-3-pyridinyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;methane;2-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[2-(trifluoromethyl)pyrimidin-5-yl]nonyl]-5,6,7,8-tetrahydroquinoline

2-[(7R)-7-[3-chloro-5-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[6-(difluoromethoxy)-3-pyridinyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;methane;2-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[2-(trifluoromethyl)pyrimidin-5-yl]nonyl]-5,6,7,8-tetrahydroquinoline (PubChem CID 161272109) has the molecular formula C148H191Cl2F18N9O and a molecular weight of 2525.09 g/mol. Its IUPAC name is 2-[(7R)-7-[3-chloro-5-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[6-(difluoromethoxy)-3-pyridinyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;methane;2-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[2-(trifluoromethyl)pyrimidin-5-yl]nonyl]-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name2-[(7R)-7-[3-chloro-5-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[6-(difluoromethoxy)-3-pyridinyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;methane;2-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[2-(trifluoromethyl)pyrimidin-5-yl]nonyl]-5,6,7,8-tetrahydroquinoline
PubChem CID161272109
Molecular FormulaC148H191Cl2F18N9O
Molecular Weight2525.09 g/mol
Exact Mass2522.43
IUPAC Name2-[(7R)-7-[3-chloro-5-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[6-(difluoromethoxy)-3-pyridinyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;methane;2-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[2-(trifluoromethyl)pyrimidin-5-yl]nonyl]-5,6,7,8-tetrahydroquinoline
SMILESC.CCC(CCCCCCc1ccc2c(n1)CCCC2)c1ccc(Cl)c(C(F)(F)F)c1.CC[C@H](CCCCCCc1ccc2c(n1)CCCC2)c1cc(Cl)cc(C(F)(F)F)c1.CC[C@H](CCCCCCc1ccc2c(n1)CCCC2)c1ccc(F)c(C(F)(F)F)c1.CC[C@H](CCCCCCc1ccc2c(n1)CCCC2)c1ccc(OC(F)F)nc1.CC[C@H](CCCCCCc1ccc2c(n1)CCCC2)c1cccc(C(F)(F)F)c1.CC[C@H](CCCCCCc1ccc2c(n1)CCCC2)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/2C25H31ClF3N.C25H31F4N.C25H32F3N.C24H32F2N2O.C23H30F3N3.CH4/c1-2-18(20-14-16-23(26)22(17-20)25(27,28)29)9-5-3-4-6-11-21-15-13-19-10-7-8-12-24(19)30-21;1-2-18(20-15-21(25(27,28)29)17-22(26)16-20)9-5-3-4-6-11-23-14-13-19-10-7-8-12-24(19)30-23;1-2-18(20-14-16-23(26)22(17-20)25(27,28)29)9-5-3-4-6-11-21-15-13-19-10-7-8-12-24(19)30-21;1-2-19(21-12-9-13-22(18-21)25(26,27)28)10-5-3-4-6-14-23-17-16-20-11-7-8-15-24(20)29-23;1-2-18(20-14-16-23(27-17-20)29-24(25)26)9-5-3-4-6-11-21-15-13-19-10-7-8-12-22(19)28-21;1-2-17(19-15-27-22(28-16-19)23(24,25)26)9-5-3-4-6-11-20-14-13-18-10-7-8-12-21(18)29-20;/h3*13-18H,2-12H2,1H3;9,12-13,16-19H,2-8,10-11,14-15H2,1H3;13-18,24H,2-12H2,1H3;13-17H,2-12H2,1H3;1H4/t;2*18-;19-;18-;17-;/m.11111./s1
InChIKeyVDYMWQDAYILAQN-IHMOFHRWSA-N
XLogP45.85
TPSA125.24 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds56
Heavy Atoms178
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002525.09
LogP ≤ 545.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[(7R)-7-[3-chloro-5-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[6-(difluoromethoxy)-3-pyridinyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;methane;2-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[2-(trifluoromethyl)pyrimidin-5-yl]nonyl]-5,6,7,8-tetrahydroquinoline with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[(7R)-7-[3-chloro-5-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[6-(difluoromethoxy)-3-pyridinyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;methane;2-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[2-(trifluoromethyl)pyrimidin-5-yl]nonyl]-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 2-[(7R)-7-[3-chloro-5-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[6-(difluoromethoxy)-3-pyridinyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;methane;2-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[2-(trifluoromethyl)pyrimidin-5-yl]nonyl]-5,6,7,8-tetrahydroquinoline (CID 161272109) is 2-[(7R)-7-[3-chloro-5-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[6-(difluoromethoxy)-3-pyridinyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;methane;2-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[2-(trifluoromethyl)pyrimidin-5-yl]nonyl]-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 2-[(7R)-7-[3-chloro-5-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[6-(difluoromethoxy)-3-pyridinyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;methane;2-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[2-(trifluoromethyl)pyrimidin-5-yl]nonyl]-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 2-[(7R)-7-[3-chloro-5-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[6-(difluoromethoxy)-3-pyridinyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;methane;2-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[2-(trifluoromethyl)pyrimidin-5-yl]nonyl]-5,6,7,8-tetrahydroquinoline is C.CCC(CCCCCCc1ccc2c(n1)CCCC2)c1ccc(Cl)c(C(F)(F)F)c1.CC[C@H](CCCCCCc1ccc2c(n1)CCCC2)c1cc(Cl)cc(C(F)(F)F)c1.CC[C@H](CCCCCCc1ccc2c(n1)CCCC2)c1ccc(F)c(C(F)(F)F)c1.CC[C@H](CCCCCCc1ccc2c(n1)CCCC2)c1ccc(OC(F)F)nc1.CC[C@H](CCCCCCc1ccc2c(n1)CCCC2)c1cccc(C(F)(F)F)c1.CC[C@H](CCCCCCc1ccc2c(n1)CCCC2)c1cnc(C(F)(F)F)nc1.
What is the InChIKey of 2-[(7R)-7-[3-chloro-5-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[6-(difluoromethoxy)-3-pyridinyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;methane;2-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[2-(trifluoromethyl)pyrimidin-5-yl]nonyl]-5,6,7,8-tetrahydroquinoline?
The InChIKey is VDYMWQDAYILAQN-IHMOFHRWSA-N. The full InChI is InChI=1S/2C25H31ClF3N.C25H31F4N.C25H32F3N.C24H32F2N2O.C23H30F3N3.CH4/c1-2-18(20-14-16-23(26)22(17-20)25(27,28)29)9-5-3-4-6-11-21-15-13-19-10-7-8-12-24(19)30-21;1-2-18(20-15-21(25(27,28)29)17-22(26)16-20)9-5-3-4-6-11-23-14-13-19-10-7-8-12-24(19)30-23;1-2-18(20-14-16-23(26)22(17-20)25(27,28)29)9-5-3-4-6-11-21-15-13-19-10-7-8-12-24(19)30-21;1-2-19(21-12-9-13-22(18-21)25(26,27)28)10-5-3-4-6-14-23-17-16-20-11-7-8-15-24(20)29-23;1-2-18(20-14-16-23(27-17-20)29-24(25)26)9-5-3-4-6-11-21-15-13-19-10-7-8-12-22(19)28-21;1-2-17(19-15-27-22(28-16-19)23(24,25)26)9-5-3-4-6-11-20-14-13-18-10-7-8-12-21(18)29-20;/h3*13-18H,2-12H2,1H3;9,12-13,16-19H,2-8,10-11,14-15H2,1H3;13-18,24H,2-12H2,1H3;13-17H,2-12H2,1H3;1H4/t;2*18-;19-;18-;17-;/m.11111./s1.
What are the key properties of 2-[(7R)-7-[3-chloro-5-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[6-(difluoromethoxy)-3-pyridinyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;methane;2-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[2-(trifluoromethyl)pyrimidin-5-yl]nonyl]-5,6,7,8-tetrahydroquinoline?
2-[(7R)-7-[3-chloro-5-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[6-(difluoromethoxy)-3-pyridinyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;methane;2-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[2-(trifluoromethyl)pyrimidin-5-yl]nonyl]-5,6,7,8-tetrahydroquinoline has a molecular weight of 2525.09 g/mol, XLogP of 45.85, 56 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7R)-7-[3-chloro-5-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[6-(difluoromethoxy)-3-pyridinyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;methane;2-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[2-(trifluoromethyl)pyrimidin-5-yl]nonyl]-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 161272109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).