1-(2-aminoethyl)-5-(2-chlorophenyl)-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one

C18H13ClF3N5O — CID 167150706

IUPAC1-(2-aminoethyl)-5-(2-chlorophenyl)-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one
SMILESNCCn1cnc2c(=O)n(-c3ccccc3Cl)c3nc(C(F)(F)F)ccc3c21
InChIInChI=1S/C18H13ClF3N5O/c19-11-3-1-2-4-12(11)27-16-10(5-6-13(25-16)18(20,21)22)15-14(17(27)28)24-9-26(15)8-7-23/h1-6,9H,7-8,23H2
InChIKeyHFPNXYCXPFVULS-UHFFFAOYSA-N
MW407.78 g/mol
LogP3.37
Rot. Bonds3

About 1-(2-aminoethyl)-5-(2-chlorophenyl)-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one

1-(2-aminoethyl)-5-(2-chlorophenyl)-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one (PubChem CID 167150706) has the molecular formula C18H13ClF3N5O and a molecular weight of 407.78 g/mol. Its IUPAC name is 1-(2-aminoethyl)-5-(2-chlorophenyl)-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-5-(2-chlorophenyl)-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one
PubChem CID167150706
Molecular FormulaC18H13ClF3N5O
Molecular Weight407.78 g/mol
Exact Mass407.08
IUPAC Name1-(2-aminoethyl)-5-(2-chlorophenyl)-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one
SMILESNCCn1cnc2c(=O)n(-c3ccccc3Cl)c3nc(C(F)(F)F)ccc3c21
InChIInChI=1S/C18H13ClF3N5O/c19-11-3-1-2-4-12(11)27-16-10(5-6-13(25-16)18(20,21)22)15-14(17(27)28)24-9-26(15)8-7-23/h1-6,9H,7-8,23H2
InChIKeyHFPNXYCXPFVULS-UHFFFAOYSA-N
XLogP3.37
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.78
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-5-(2-chlorophenyl)-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one?
The IUPAC name of 1-(2-aminoethyl)-5-(2-chlorophenyl)-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one (CID 167150706) is 1-(2-aminoethyl)-5-(2-chlorophenyl)-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 1-(2-aminoethyl)-5-(2-chlorophenyl)-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one?
The canonical SMILES for 1-(2-aminoethyl)-5-(2-chlorophenyl)-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one is NCCn1cnc2c(=O)n(-c3ccccc3Cl)c3nc(C(F)(F)F)ccc3c21.
What is the InChIKey of 1-(2-aminoethyl)-5-(2-chlorophenyl)-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one?
The InChIKey is HFPNXYCXPFVULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N5O/c19-11-3-1-2-4-12(11)27-16-10(5-6-13(25-16)18(20,21)22)15-14(17(27)28)24-9-26(15)8-7-23/h1-6,9H,7-8,23H2.
What are the key properties of 1-(2-aminoethyl)-5-(2-chlorophenyl)-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one?
1-(2-aminoethyl)-5-(2-chlorophenyl)-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one has a molecular weight of 407.78 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-5-(2-chlorophenyl)-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 167150706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).