8-chloro-5-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydroquinolin-2-amine

C21H22ClF3N4O2 — CID 162590596

IUPAC8-chloro-5-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydroquinolin-2-amine
SMILESFC(F)(F)c1ccnc(Nc2ccc3c(n2)=C(Cl)CCC=3OCCN2CCOCC2)c1
InChIInChI=1S/C21H22ClF3N4O2/c22-16-2-3-17(31-12-9-29-7-10-30-11-8-29)15-1-4-18(28-20(15)16)27-19-13-14(5-6-26-19)21(23,24)25/h1,4-6,13H,2-3,7-12H2,(H,26,27,28)
InChIKeyWXXWAWXLNSOESD-UHFFFAOYSA-N
MW454.88 g/mol
LogP2.84
Rot. Bonds6

About 8-chloro-5-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydroquinolin-2-amine

8-chloro-5-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydroquinolin-2-amine (PubChem CID 162590596) has the molecular formula C21H22ClF3N4O2 and a molecular weight of 454.88 g/mol. Its IUPAC name is 8-chloro-5-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydroquinolin-2-amine.

Molecular Properties

Compound Name8-chloro-5-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydroquinolin-2-amine
PubChem CID162590596
Molecular FormulaC21H22ClF3N4O2
Molecular Weight454.88 g/mol
Exact Mass454.14
IUPAC Name8-chloro-5-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydroquinolin-2-amine
SMILESFC(F)(F)c1ccnc(Nc2ccc3c(n2)=C(Cl)CCC=3OCCN2CCOCC2)c1
InChIInChI=1S/C21H22ClF3N4O2/c22-16-2-3-17(31-12-9-29-7-10-30-11-8-29)15-1-4-18(28-20(15)16)27-19-13-14(5-6-26-19)21(23,24)25/h1,4-6,13H,2-3,7-12H2,(H,26,27,28)
InChIKeyWXXWAWXLNSOESD-UHFFFAOYSA-N
XLogP2.84
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.88
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydroquinolin-2-amine?
The IUPAC name of 8-chloro-5-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydroquinolin-2-amine (CID 162590596) is 8-chloro-5-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydroquinolin-2-amine.
What is the SMILES notation for 8-chloro-5-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydroquinolin-2-amine?
The canonical SMILES for 8-chloro-5-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydroquinolin-2-amine is FC(F)(F)c1ccnc(Nc2ccc3c(n2)=C(Cl)CCC=3OCCN2CCOCC2)c1.
What is the InChIKey of 8-chloro-5-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydroquinolin-2-amine?
The InChIKey is WXXWAWXLNSOESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClF3N4O2/c22-16-2-3-17(31-12-9-29-7-10-30-11-8-29)15-1-4-18(28-20(15)16)27-19-13-14(5-6-26-19)21(23,24)25/h1,4-6,13H,2-3,7-12H2,(H,26,27,28).
What are the key properties of 8-chloro-5-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydroquinolin-2-amine?
8-chloro-5-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydroquinolin-2-amine has a molecular weight of 454.88 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydroquinolin-2-amine is sourced from PubChem (CID 162590596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).