methyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate

C17H13ClFN3O2 — CID 53132003

IUPACmethyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H13ClFN3O2/c1-9-3-5-11-15(22-10-4-6-14(19)13(18)7-10)12(17(23)24-2)8-20-16(11)21-9/h3-8H,1-2H3,(H,20,21,22)
InChIKeySDZFILZXXLNVEK-UHFFFAOYSA-N
MW345.76 g/mol
LogP4.26
Rot. Bonds3

About methyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate

methyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate (PubChem CID 53132003) has the molecular formula C17H13ClFN3O2 and a molecular weight of 345.76 g/mol. Its IUPAC name is methyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
PubChem CID53132003
Molecular FormulaC17H13ClFN3O2
Molecular Weight345.76 g/mol
Exact Mass345.07
IUPAC Namemethyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H13ClFN3O2/c1-9-3-5-11-15(22-10-4-6-14(19)13(18)7-10)12(17(23)24-2)8-20-16(11)21-9/h3-8H,1-2H3,(H,20,21,22)
InChIKeySDZFILZXXLNVEK-UHFFFAOYSA-N
XLogP4.26
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.76
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of methyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate (CID 53132003) is methyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate is COC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)c(Cl)c1.
What is the InChIKey of methyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is SDZFILZXXLNVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O2/c1-9-3-5-11-15(22-10-4-6-14(19)13(18)7-10)12(17(23)24-2)8-20-16(11)21-9/h3-8H,1-2H3,(H,20,21,22).
What are the key properties of methyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
methyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate has a molecular weight of 345.76 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 53132003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).