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

C18H16BrN3O2 — CID 19258354

IUPACethyl 4-(3-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2nc(C)ccc2c1Nc1cccc(Br)c1
InChIInChI=1S/C18H16BrN3O2/c1-3-24-18(23)15-10-20-17-14(8-7-11(2)21-17)16(15)22-13-6-4-5-12(19)9-13/h4-10H,3H2,1-2H3,(H,20,21,22)
InChIKeyHUABJMUBBGTADE-UHFFFAOYSA-N
MW386.25 g/mol
LogP4.62
Rot. Bonds4

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

ethyl 4-(3-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate (PubChem CID 19258354) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is ethyl 4-(3-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
PubChem CID19258354
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC Nameethyl 4-(3-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2nc(C)ccc2c1Nc1cccc(Br)c1
InChIInChI=1S/C18H16BrN3O2/c1-3-24-18(23)15-10-20-17-14(8-7-11(2)21-17)16(15)22-13-6-4-5-12(19)9-13/h4-10H,3H2,1-2H3,(H,20,21,22)
InChIKeyHUABJMUBBGTADE-UHFFFAOYSA-N
XLogP4.62
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-(3-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate (CID 19258354) is ethyl 4-(3-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(3-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(3-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cnc2nc(C)ccc2c1Nc1cccc(Br)c1.
What is the InChIKey of ethyl 4-(3-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is HUABJMUBBGTADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-3-24-18(23)15-10-20-17-14(8-7-11(2)21-17)16(15)22-13-6-4-5-12(19)9-13/h4-10H,3H2,1-2H3,(H,20,21,22).
What are the key properties of ethyl 4-(3-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
ethyl 4-(3-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate has a molecular weight of 386.25 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 19258354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).