2-(2-chlorophenyl)-N-(4-ethyl-7-fluoro-2-methyl-3,4-dihydronaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine

C28H28ClFN2 — CID 142126512

IUPAC2-(2-chlorophenyl)-N-(4-ethyl-7-fluoro-2-methyl-3,4-dihydronaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine
SMILESCCC1CC(C)=C(Nc2cc(-c3ccccc3Cl)nc3c2CCCC3)c2cc(F)ccc21
InChIInChI=1S/C28H28ClFN2/c1-3-18-14-17(2)28(23-15-19(30)12-13-20(18)23)32-27-16-26(21-8-4-6-10-24(21)29)31-25-11-7-5-9-22(25)27/h4,6,8,10,12-13,15-16,18H,3,5,7,9,11,14H2,1-2H3,(H,31,32)
InChIKeyXIFPQYALGNJTTG-UHFFFAOYSA-N
MW447.00 g/mol
LogP8.16
Rot. Bonds4

About 2-(2-chlorophenyl)-N-(4-ethyl-7-fluoro-2-methyl-3,4-dihydronaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine

2-(2-chlorophenyl)-N-(4-ethyl-7-fluoro-2-methyl-3,4-dihydronaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine (PubChem CID 142126512) has the molecular formula C28H28ClFN2 and a molecular weight of 447.00 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(4-ethyl-7-fluoro-2-methyl-3,4-dihydronaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(4-ethyl-7-fluoro-2-methyl-3,4-dihydronaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine
PubChem CID142126512
Molecular FormulaC28H28ClFN2
Molecular Weight447.00 g/mol
Exact Mass446.19
IUPAC Name2-(2-chlorophenyl)-N-(4-ethyl-7-fluoro-2-methyl-3,4-dihydronaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine
SMILESCCC1CC(C)=C(Nc2cc(-c3ccccc3Cl)nc3c2CCCC3)c2cc(F)ccc21
InChIInChI=1S/C28H28ClFN2/c1-3-18-14-17(2)28(23-15-19(30)12-13-20(18)23)32-27-16-26(21-8-4-6-10-24(21)29)31-25-11-7-5-9-22(25)27/h4,6,8,10,12-13,15-16,18H,3,5,7,9,11,14H2,1-2H3,(H,31,32)
InChIKeyXIFPQYALGNJTTG-UHFFFAOYSA-N
XLogP8.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.00
LogP ≤ 58.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(4-ethyl-7-fluoro-2-methyl-3,4-dihydronaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-(4-ethyl-7-fluoro-2-methyl-3,4-dihydronaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine (CID 142126512) is 2-(2-chlorophenyl)-N-(4-ethyl-7-fluoro-2-methyl-3,4-dihydronaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(4-ethyl-7-fluoro-2-methyl-3,4-dihydronaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-(4-ethyl-7-fluoro-2-methyl-3,4-dihydronaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine is CCC1CC(C)=C(Nc2cc(-c3ccccc3Cl)nc3c2CCCC3)c2cc(F)ccc21.
What is the InChIKey of 2-(2-chlorophenyl)-N-(4-ethyl-7-fluoro-2-methyl-3,4-dihydronaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine?
The InChIKey is XIFPQYALGNJTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClFN2/c1-3-18-14-17(2)28(23-15-19(30)12-13-20(18)23)32-27-16-26(21-8-4-6-10-24(21)29)31-25-11-7-5-9-22(25)27/h4,6,8,10,12-13,15-16,18H,3,5,7,9,11,14H2,1-2H3,(H,31,32).
What are the key properties of 2-(2-chlorophenyl)-N-(4-ethyl-7-fluoro-2-methyl-3,4-dihydronaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine?
2-(2-chlorophenyl)-N-(4-ethyl-7-fluoro-2-methyl-3,4-dihydronaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine has a molecular weight of 447.00 g/mol, XLogP of 8.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(4-ethyl-7-fluoro-2-methyl-3,4-dihydronaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine is sourced from PubChem (CID 142126512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).