propyl 4-anilino-7-methyl-1,8-naphthyridine-3-carboxylate

C19H19N3O2 — CID 50836366

IUPACpropyl 4-anilino-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccccc1
InChIInChI=1S/C19H19N3O2/c1-3-11-24-19(23)16-12-20-18-15(10-9-13(2)21-18)17(16)22-14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3,(H,20,21,22)
InChIKeyLCJYVYSVIMUTHU-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.25
Rot. Bonds5

About propyl 4-anilino-7-methyl-1,8-naphthyridine-3-carboxylate

propyl 4-anilino-7-methyl-1,8-naphthyridine-3-carboxylate (PubChem CID 50836366) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is propyl 4-anilino-7-methyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namepropyl 4-anilino-7-methyl-1,8-naphthyridine-3-carboxylate
PubChem CID50836366
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Namepropyl 4-anilino-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccccc1
InChIInChI=1S/C19H19N3O2/c1-3-11-24-19(23)16-12-20-18-15(10-9-13(2)21-18)17(16)22-14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3,(H,20,21,22)
InChIKeyLCJYVYSVIMUTHU-UHFFFAOYSA-N
XLogP4.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propyl 4-anilino-7-methyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of propyl 4-anilino-7-methyl-1,8-naphthyridine-3-carboxylate (CID 50836366) is propyl 4-anilino-7-methyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for propyl 4-anilino-7-methyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for propyl 4-anilino-7-methyl-1,8-naphthyridine-3-carboxylate is CCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccccc1.
What is the InChIKey of propyl 4-anilino-7-methyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is LCJYVYSVIMUTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-11-24-19(23)16-12-20-18-15(10-9-13(2)21-18)17(16)22-14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3,(H,20,21,22).
What are the key properties of propyl 4-anilino-7-methyl-1,8-naphthyridine-3-carboxylate?
propyl 4-anilino-7-methyl-1,8-naphthyridine-3-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-anilino-7-methyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 50836366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).