3,4-diamino-1-(4-amino-2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one

C15H11ClF3N5O — CID 164562748

IUPAC3,4-diamino-1-(4-amino-2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one
SMILESNc1ccc(-n2c(=O)c(N)c(N)c3ccc(C(F)(F)F)nc32)c(Cl)c1
InChIInChI=1S/C15H11ClF3N5O/c16-8-5-6(20)1-3-9(8)24-13-7(11(21)12(22)14(24)25)2-4-10(23-13)15(17,18)19/h1-5H,20-22H2
InChIKeyFDRORKDWEGERFI-UHFFFAOYSA-N
MW369.73 g/mol
LogP2.80
Rot. Bonds1

About 3,4-diamino-1-(4-amino-2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one

3,4-diamino-1-(4-amino-2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one (PubChem CID 164562748) has the molecular formula C15H11ClF3N5O and a molecular weight of 369.73 g/mol. Its IUPAC name is 3,4-diamino-1-(4-amino-2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3,4-diamino-1-(4-amino-2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one
PubChem CID164562748
Molecular FormulaC15H11ClF3N5O
Molecular Weight369.73 g/mol
Exact Mass369.06
IUPAC Name3,4-diamino-1-(4-amino-2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one
SMILESNc1ccc(-n2c(=O)c(N)c(N)c3ccc(C(F)(F)F)nc32)c(Cl)c1
InChIInChI=1S/C15H11ClF3N5O/c16-8-5-6(20)1-3-9(8)24-13-7(11(21)12(22)14(24)25)2-4-10(23-13)15(17,18)19/h1-5H,20-22H2
InChIKeyFDRORKDWEGERFI-UHFFFAOYSA-N
XLogP2.80
TPSA112.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.73
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-diamino-1-(4-amino-2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
The IUPAC name of 3,4-diamino-1-(4-amino-2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one (CID 164562748) is 3,4-diamino-1-(4-amino-2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 3,4-diamino-1-(4-amino-2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 3,4-diamino-1-(4-amino-2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one is Nc1ccc(-n2c(=O)c(N)c(N)c3ccc(C(F)(F)F)nc32)c(Cl)c1.
What is the InChIKey of 3,4-diamino-1-(4-amino-2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
The InChIKey is FDRORKDWEGERFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N5O/c16-8-5-6(20)1-3-9(8)24-13-7(11(21)12(22)14(24)25)2-4-10(23-13)15(17,18)19/h1-5H,20-22H2.
What are the key properties of 3,4-diamino-1-(4-amino-2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
3,4-diamino-1-(4-amino-2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one has a molecular weight of 369.73 g/mol, XLogP of 2.80, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diamino-1-(4-amino-2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 164562748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).