2-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]propylamino]-1H-quinolin-4-one

C20H19F4N3O — CID 10293966

IUPAC2-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]propylamino]-1H-quinolin-4-one
SMILESCC(CNc1cc(=O)c2ccccc2[nH]1)NCc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C20H19F4N3O/c1-12(25-11-13-8-14(20(22,23)24)6-7-16(13)21)10-26-19-9-18(28)15-4-2-3-5-17(15)27-19/h2-9,12,25H,10-11H2,1H3,(H2,26,27,28)
InChIKeyAALMGJUXZAZMRW-UHFFFAOYSA-N
MW393.38 g/mol
LogP4.28
Rot. Bonds6

About 2-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]propylamino]-1H-quinolin-4-one

2-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]propylamino]-1H-quinolin-4-one (PubChem CID 10293966) has the molecular formula C20H19F4N3O and a molecular weight of 393.38 g/mol. Its IUPAC name is 2-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]propylamino]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]propylamino]-1H-quinolin-4-one
PubChem CID10293966
Molecular FormulaC20H19F4N3O
Molecular Weight393.38 g/mol
Exact Mass393.15
IUPAC Name2-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]propylamino]-1H-quinolin-4-one
SMILESCC(CNc1cc(=O)c2ccccc2[nH]1)NCc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C20H19F4N3O/c1-12(25-11-13-8-14(20(22,23)24)6-7-16(13)21)10-26-19-9-18(28)15-4-2-3-5-17(15)27-19/h2-9,12,25H,10-11H2,1H3,(H2,26,27,28)
InChIKeyAALMGJUXZAZMRW-UHFFFAOYSA-N
XLogP4.28
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]propylamino]-1H-quinolin-4-one?
The IUPAC name of 2-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]propylamino]-1H-quinolin-4-one (CID 10293966) is 2-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]propylamino]-1H-quinolin-4-one.
What is the SMILES notation for 2-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]propylamino]-1H-quinolin-4-one?
The canonical SMILES for 2-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]propylamino]-1H-quinolin-4-one is CC(CNc1cc(=O)c2ccccc2[nH]1)NCc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]propylamino]-1H-quinolin-4-one?
The InChIKey is AALMGJUXZAZMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N3O/c1-12(25-11-13-8-14(20(22,23)24)6-7-16(13)21)10-26-19-9-18(28)15-4-2-3-5-17(15)27-19/h2-9,12,25H,10-11H2,1H3,(H2,26,27,28).
What are the key properties of 2-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]propylamino]-1H-quinolin-4-one?
2-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]propylamino]-1H-quinolin-4-one has a molecular weight of 393.38 g/mol, XLogP of 4.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]propylamino]-1H-quinolin-4-one is sourced from PubChem (CID 10293966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).