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

C16H12ClN3O3S — CID 142434497

IUPAC7-chloro-1-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCc1cc(Cl)nc2c1c(=O)c(C(=O)O)cn2-c1nc(C2CC2)cs1
InChIInChI=1S/C16H12ClN3O3S/c1-7-4-11(17)19-14-12(7)13(21)9(15(22)23)5-20(14)16-18-10(6-24-16)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,22,23)
InChIKeyIKXNECGEKJMTNP-UHFFFAOYSA-N
MW361.81 g/mol
LogP3.38
Rot. Bonds3

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

7-chloro-1-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142434497) has the molecular formula C16H12ClN3O3S and a molecular weight of 361.81 g/mol. Its IUPAC name is 7-chloro-1-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-1-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID142434497
Molecular FormulaC16H12ClN3O3S
Molecular Weight361.81 g/mol
Exact Mass361.03
IUPAC Name7-chloro-1-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCc1cc(Cl)nc2c1c(=O)c(C(=O)O)cn2-c1nc(C2CC2)cs1
InChIInChI=1S/C16H12ClN3O3S/c1-7-4-11(17)19-14-12(7)13(21)9(15(22)23)5-20(14)16-18-10(6-24-16)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,22,23)
InChIKeyIKXNECGEKJMTNP-UHFFFAOYSA-N
XLogP3.38
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.81
LogP ≤ 53.38
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-cyclopropyl-1,3-thiazol-2-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-chloro-1-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 142434497) is 7-chloro-1-(4-cyclopropyl-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-cyclopropyl-1,3-thiazol-2-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-chloro-1-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid is Cc1cc(Cl)nc2c1c(=O)c(C(=O)O)cn2-c1nc(C2CC2)cs1.
What is the InChIKey of 7-chloro-1-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is IKXNECGEKJMTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3S/c1-7-4-11(17)19-14-12(7)13(21)9(15(22)23)5-20(14)16-18-10(6-24-16)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,22,23).
What are the key properties of 7-chloro-1-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
7-chloro-1-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 361.81 g/mol, XLogP of 3.38, 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-cyclopropyl-1,3-thiazol-2-yl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142434497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).