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

C18H15ClFN3O2 — CID 19258404

IUPACethyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H15ClFN3O2/c1-3-25-18(24)13-9-21-17-12(6-4-10(2)22-17)16(13)23-11-5-7-15(20)14(19)8-11/h4-9H,3H2,1-2H3,(H,21,22,23)
InChIKeyVZDBSGFCYQRSSA-UHFFFAOYSA-N
MW359.79 g/mol
LogP4.65
Rot. Bonds4

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

ethyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate (PubChem CID 19258404) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is ethyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
PubChem CID19258404
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC Nameethyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H15ClFN3O2/c1-3-25-18(24)13-9-21-17-12(6-4-10(2)22-17)16(13)23-11-5-7-15(20)14(19)8-11/h4-9H,3H2,1-2H3,(H,21,22,23)
InChIKeyVZDBSGFCYQRSSA-UHFFFAOYSA-N
XLogP4.65
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate (CID 19258404) is ethyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)c(Cl)c1.
What is the InChIKey of ethyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is VZDBSGFCYQRSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c1-3-25-18(24)13-9-21-17-12(6-4-10(2)22-17)16(13)23-11-5-7-15(20)14(19)8-11/h4-9H,3H2,1-2H3,(H,21,22,23).
What are the key properties of ethyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
ethyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate has a molecular weight of 359.79 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 19258404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).