7-chloro-1-(4-ethyl-1,3-thiazol-2-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid

C15H12ClN3O3S — CID 142435553

IUPAC7-chloro-1-(4-ethyl-1,3-thiazol-2-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCCc1csc(-n2cc(C(=O)O)c(=O)c3c(C)cc(Cl)nc32)n1
InChIInChI=1S/C15H12ClN3O3S/c1-3-8-6-23-15(17-8)19-5-9(14(21)22)12(20)11-7(2)4-10(16)18-13(11)19/h4-6H,3H2,1-2H3,(H,21,22)
InChIKeyYBFBRNAYBRHPCR-UHFFFAOYSA-N
MW349.80 g/mol
LogP3.06
Rot. Bonds3

About 7-chloro-1-(4-ethyl-1,3-thiazol-2-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid

7-chloro-1-(4-ethyl-1,3-thiazol-2-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142435553) has the molecular formula C15H12ClN3O3S and a molecular weight of 349.80 g/mol. Its IUPAC name is 7-chloro-1-(4-ethyl-1,3-thiazol-2-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-1-(4-ethyl-1,3-thiazol-2-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID142435553
Molecular FormulaC15H12ClN3O3S
Molecular Weight349.80 g/mol
Exact Mass349.03
IUPAC Name7-chloro-1-(4-ethyl-1,3-thiazol-2-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCCc1csc(-n2cc(C(=O)O)c(=O)c3c(C)cc(Cl)nc32)n1
InChIInChI=1S/C15H12ClN3O3S/c1-3-8-6-23-15(17-8)19-5-9(14(21)22)12(20)11-7(2)4-10(16)18-13(11)19/h4-6H,3H2,1-2H3,(H,21,22)
InChIKeyYBFBRNAYBRHPCR-UHFFFAOYSA-N
XLogP3.06
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(4-ethyl-1,3-thiazol-2-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-chloro-1-(4-ethyl-1,3-thiazol-2-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 142435553) is 7-chloro-1-(4-ethyl-1,3-thiazol-2-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-chloro-1-(4-ethyl-1,3-thiazol-2-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-chloro-1-(4-ethyl-1,3-thiazol-2-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid is CCc1csc(-n2cc(C(=O)O)c(=O)c3c(C)cc(Cl)nc32)n1.
What is the InChIKey of 7-chloro-1-(4-ethyl-1,3-thiazol-2-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is YBFBRNAYBRHPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3S/c1-3-8-6-23-15(17-8)19-5-9(14(21)22)12(20)11-7(2)4-10(16)18-13(11)19/h4-6H,3H2,1-2H3,(H,21,22).
What are the key properties of 7-chloro-1-(4-ethyl-1,3-thiazol-2-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
7-chloro-1-(4-ethyl-1,3-thiazol-2-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 349.80 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(4-ethyl-1,3-thiazol-2-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142435553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).