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

C16H13ClF3N5O — CID 164562902

IUPAC3-amino-1-(4-amino-2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one
SMILESCNc1c(N)c(=O)n(-c2ccc(N)cc2Cl)c2nc(C(F)(F)F)ccc12
InChIInChI=1S/C16H13ClF3N5O/c1-23-13-8-3-5-11(16(18,19)20)24-14(8)25(15(26)12(13)22)10-4-2-7(21)6-9(10)17/h2-6,23H,21-22H2,1H3
InChIKeyWZJVBIPVZGOBFX-UHFFFAOYSA-N
MW383.76 g/mol
LogP3.26
Rot. Bonds2

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

3-amino-1-(4-amino-2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one (PubChem CID 164562902) has the molecular formula C16H13ClF3N5O and a molecular weight of 383.76 g/mol. Its IUPAC name is 3-amino-1-(4-amino-2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(4-amino-2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one
PubChem CID164562902
Molecular FormulaC16H13ClF3N5O
Molecular Weight383.76 g/mol
Exact Mass383.08
IUPAC Name3-amino-1-(4-amino-2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one
SMILESCNc1c(N)c(=O)n(-c2ccc(N)cc2Cl)c2nc(C(F)(F)F)ccc12
InChIInChI=1S/C16H13ClF3N5O/c1-23-13-8-3-5-11(16(18,19)20)24-14(8)25(15(26)12(13)22)10-4-2-7(21)6-9(10)17/h2-6,23H,21-22H2,1H3
InChIKeyWZJVBIPVZGOBFX-UHFFFAOYSA-N
XLogP3.26
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.76
LogP ≤ 53.26
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-amino-1-(4-amino-2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
The IUPAC name of 3-amino-1-(4-amino-2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one (CID 164562902) is 3-amino-1-(4-amino-2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-amino-1-(4-amino-2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 3-amino-1-(4-amino-2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one is CNc1c(N)c(=O)n(-c2ccc(N)cc2Cl)c2nc(C(F)(F)F)ccc12.
What is the InChIKey of 3-amino-1-(4-amino-2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
The InChIKey is WZJVBIPVZGOBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3N5O/c1-23-13-8-3-5-11(16(18,19)20)24-14(8)25(15(26)12(13)22)10-4-2-7(21)6-9(10)17/h2-6,23H,21-22H2,1H3.
What are the key properties of 3-amino-1-(4-amino-2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
3-amino-1-(4-amino-2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one has a molecular weight of 383.76 g/mol, XLogP of 3.26, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-amino-2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 164562902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).