7-[7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[7-[3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

C144H182Cl2F20N12 — CID 159756312

IUPAC7-[7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[7-[3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCCC(CCCCCCc1ccc2c(n1)NCCC2)c1ccc(Cl)c(C(F)(F)F)c1.CCC(CCCCCCc1ccc2c(n1)NCCC2)c1ccc(F)c(C(F)(F)F)c1.CCC(CCCCCCc1ccc2c(n1)NCCC2)c1cccc(C(F)(F)F)c1.CC[C@H](CCCCCCc1ccc2c(n1)NCCC2)c1ccc(Cl)c(C(F)(F)F)c1.CC[C@H](CCCCCCc1ccc2c(n1)NCCC2)c1ccc(F)c(C(F)(F)F)c1.CC[C@H](CCCCCCc1ccc2c(n1)NCCC2)c1cccc(C(F)(F)F)c1
InChIInChI=1S/2C24H30ClF3N2.2C24H30F4N2.2C24H31F3N2/c4*1-2-17(19-12-14-22(25)21(16-19)24(26,27)28)8-5-3-4-6-10-20-13-11-18-9-7-15-29-23(18)30-20;2*1-2-18(20-10-7-12-21(17-20)24(25,26)27)9-5-3-4-6-13-22-15-14-19-11-8-16-28-23(19)29-22/h4*11-14,16-17H,2-10,15H2,1H3,(H,29,30);2*7,10,12,14-15,17-18H,2-6,8-9,11,13,16H2,1H3,(H,28,29)/t17-;;17-;;18-;/m1.1.1./s1
InChIKeyNEHRJVQXTFPECK-RNKXDXPQSA-N
MW2531.99 g/mol
LogP44.46
Rot. Bonds54

About 7-[7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[7-[3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

7-[7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[7-[3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 159756312) has the molecular formula C144H182Cl2F20N12 and a molecular weight of 2531.99 g/mol. Its IUPAC name is 7-[7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[7-[3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name7-[7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[7-[3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID159756312
Molecular FormulaC144H182Cl2F20N12
Molecular Weight2531.99 g/mol
Exact Mass2529.37
IUPAC Name7-[7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[7-[3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCCC(CCCCCCc1ccc2c(n1)NCCC2)c1ccc(Cl)c(C(F)(F)F)c1.CCC(CCCCCCc1ccc2c(n1)NCCC2)c1ccc(F)c(C(F)(F)F)c1.CCC(CCCCCCc1ccc2c(n1)NCCC2)c1cccc(C(F)(F)F)c1.CC[C@H](CCCCCCc1ccc2c(n1)NCCC2)c1ccc(Cl)c(C(F)(F)F)c1.CC[C@H](CCCCCCc1ccc2c(n1)NCCC2)c1ccc(F)c(C(F)(F)F)c1.CC[C@H](CCCCCCc1ccc2c(n1)NCCC2)c1cccc(C(F)(F)F)c1
InChIInChI=1S/2C24H30ClF3N2.2C24H30F4N2.2C24H31F3N2/c4*1-2-17(19-12-14-22(25)21(16-19)24(26,27)28)8-5-3-4-6-10-20-13-11-18-9-7-15-29-23(18)30-20;2*1-2-18(20-10-7-12-21(17-20)24(25,26)27)9-5-3-4-6-13-22-15-14-19-11-8-16-28-23(19)29-22/h4*11-14,16-17H,2-10,15H2,1H3,(H,29,30);2*7,10,12,14-15,17-18H,2-6,8-9,11,13,16H2,1H3,(H,28,29)/t17-;;17-;;18-;/m1.1.1./s1
InChIKeyNEHRJVQXTFPECK-RNKXDXPQSA-N
XLogP44.46
TPSA149.52 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds54
Heavy Atoms178
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002531.99
LogP ≤ 544.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 7-[7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[7-[3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[7-[3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of 7-[7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[7-[3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 159756312) is 7-[7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[7-[3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 7-[7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[7-[3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 7-[7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[7-[3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is CCC(CCCCCCc1ccc2c(n1)NCCC2)c1ccc(Cl)c(C(F)(F)F)c1.CCC(CCCCCCc1ccc2c(n1)NCCC2)c1ccc(F)c(C(F)(F)F)c1.CCC(CCCCCCc1ccc2c(n1)NCCC2)c1cccc(C(F)(F)F)c1.CC[C@H](CCCCCCc1ccc2c(n1)NCCC2)c1ccc(Cl)c(C(F)(F)F)c1.CC[C@H](CCCCCCc1ccc2c(n1)NCCC2)c1ccc(F)c(C(F)(F)F)c1.CC[C@H](CCCCCCc1ccc2c(n1)NCCC2)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 7-[7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[7-[3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is NEHRJVQXTFPECK-RNKXDXPQSA-N. The full InChI is InChI=1S/2C24H30ClF3N2.2C24H30F4N2.2C24H31F3N2/c4*1-2-17(19-12-14-22(25)21(16-19)24(26,27)28)8-5-3-4-6-10-20-13-11-18-9-7-15-29-23(18)30-20;2*1-2-18(20-10-7-12-21(17-20)24(25,26)27)9-5-3-4-6-13-22-15-14-19-11-8-16-28-23(19)29-22/h4*11-14,16-17H,2-10,15H2,1H3,(H,29,30);2*7,10,12,14-15,17-18H,2-6,8-9,11,13,16H2,1H3,(H,28,29)/t17-;;17-;;18-;/m1.1.1./s1.
What are the key properties of 7-[7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[7-[3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
7-[7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[7-[3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 2531.99 g/mol, XLogP of 44.46, 54 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[7-[3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 159756312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).