1-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride

C13H10ClN3O4 — CID 67009988

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
SMILESCc1cc(-n2c(=O)c(C(=O)O)cc3cccnc32)no1.Cl
InChIInChI=1S/C13H9N3O4.ClH/c1-7-5-10(15-20-7)16-11-8(3-2-4-14-11)6-9(12(16)17)13(18)19;/h2-6H,1H3,(H,18,19);1H
InChIKeyRDBCIVLQQSQAJT-UHFFFAOYSA-N
MW307.69 g/mol
LogP1.80
Rot. Bonds2

About 1-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride

1-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride (PubChem CID 67009988) has the molecular formula C13H10ClN3O4 and a molecular weight of 307.69 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
PubChem CID67009988
Molecular FormulaC13H10ClN3O4
Molecular Weight307.69 g/mol
Exact Mass307.04
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
SMILESCc1cc(-n2c(=O)c(C(=O)O)cc3cccnc32)no1.Cl
InChIInChI=1S/C13H9N3O4.ClH/c1-7-5-10(15-20-7)16-11-8(3-2-4-14-11)6-9(12(16)17)13(18)19;/h2-6H,1H3,(H,18,19);1H
InChIKeyRDBCIVLQQSQAJT-UHFFFAOYSA-N
XLogP1.80
TPSA98.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.69
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride (CID 67009988) is 1-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride is Cc1cc(-n2c(=O)c(C(=O)O)cc3cccnc32)no1.Cl.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
The InChIKey is RDBCIVLQQSQAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O4.ClH/c1-7-5-10(15-20-7)16-11-8(3-2-4-14-11)6-9(12(16)17)13(18)19;/h2-6H,1H3,(H,18,19);1H.
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
1-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride has a molecular weight of 307.69 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 67009988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).