N-methyl-3-quinolin-5-yloxy-3-[4-(trifluoromethyl)-2-pyridinyl]propan-1-amine

C19H18F3N3O — CID 135145290

IUPACN-methyl-3-quinolin-5-yloxy-3-[4-(trifluoromethyl)-2-pyridinyl]propan-1-amine
SMILESCNCCC(Oc1cccc2ncccc12)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C19H18F3N3O/c1-23-10-8-18(16-12-13(7-11-25-16)19(20,21)22)26-17-6-2-5-15-14(17)4-3-9-24-15/h2-7,9,11-12,18,23H,8,10H2,1H3
InChIKeyXWVWVQXHZKIGLW-UHFFFAOYSA-N
MW361.37 g/mol
LogP4.38
Rot. Bonds6

About N-methyl-3-quinolin-5-yloxy-3-[4-(trifluoromethyl)-2-pyridinyl]propan-1-amine

N-methyl-3-quinolin-5-yloxy-3-[4-(trifluoromethyl)-2-pyridinyl]propan-1-amine (PubChem CID 135145290) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is N-methyl-3-quinolin-5-yloxy-3-[4-(trifluoromethyl)-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-quinolin-5-yloxy-3-[4-(trifluoromethyl)-2-pyridinyl]propan-1-amine
PubChem CID135145290
Molecular FormulaC19H18F3N3O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC NameN-methyl-3-quinolin-5-yloxy-3-[4-(trifluoromethyl)-2-pyridinyl]propan-1-amine
SMILESCNCCC(Oc1cccc2ncccc12)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C19H18F3N3O/c1-23-10-8-18(16-12-13(7-11-25-16)19(20,21)22)26-17-6-2-5-15-14(17)4-3-9-24-15/h2-7,9,11-12,18,23H,8,10H2,1H3
InChIKeyXWVWVQXHZKIGLW-UHFFFAOYSA-N
XLogP4.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-quinolin-5-yloxy-3-[4-(trifluoromethyl)-2-pyridinyl]propan-1-amine?
The IUPAC name of N-methyl-3-quinolin-5-yloxy-3-[4-(trifluoromethyl)-2-pyridinyl]propan-1-amine (CID 135145290) is N-methyl-3-quinolin-5-yloxy-3-[4-(trifluoromethyl)-2-pyridinyl]propan-1-amine.
What is the SMILES notation for N-methyl-3-quinolin-5-yloxy-3-[4-(trifluoromethyl)-2-pyridinyl]propan-1-amine?
The canonical SMILES for N-methyl-3-quinolin-5-yloxy-3-[4-(trifluoromethyl)-2-pyridinyl]propan-1-amine is CNCCC(Oc1cccc2ncccc12)c1cc(C(F)(F)F)ccn1.
What is the InChIKey of N-methyl-3-quinolin-5-yloxy-3-[4-(trifluoromethyl)-2-pyridinyl]propan-1-amine?
The InChIKey is XWVWVQXHZKIGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O/c1-23-10-8-18(16-12-13(7-11-25-16)19(20,21)22)26-17-6-2-5-15-14(17)4-3-9-24-15/h2-7,9,11-12,18,23H,8,10H2,1H3.
What are the key properties of N-methyl-3-quinolin-5-yloxy-3-[4-(trifluoromethyl)-2-pyridinyl]propan-1-amine?
N-methyl-3-quinolin-5-yloxy-3-[4-(trifluoromethyl)-2-pyridinyl]propan-1-amine has a molecular weight of 361.37 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-quinolin-5-yloxy-3-[4-(trifluoromethyl)-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 135145290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).