8-chloro-1-(2-hydrazinyl-2-oxoethyl)-2-oxoquinoline-6-carboxylic acid

C12H10ClN3O4 — CID 82212970

IUPAC8-chloro-1-(2-hydrazinyl-2-oxoethyl)-2-oxoquinoline-6-carboxylic acid
SMILESNNC(=O)Cn1c(=O)ccc2cc(C(=O)O)cc(Cl)c21
InChIInChI=1S/C12H10ClN3O4/c13-8-4-7(12(19)20)3-6-1-2-10(18)16(11(6)8)5-9(17)15-14/h1-4H,5,14H2,(H,15,17)(H,19,20)
InChIKeyLVXLMWARNCNCCY-UHFFFAOYSA-N
MW295.68 g/mol
LogP0.34
Rot. Bonds3

About 8-chloro-1-(2-hydrazinyl-2-oxoethyl)-2-oxoquinoline-6-carboxylic acid

8-chloro-1-(2-hydrazinyl-2-oxoethyl)-2-oxoquinoline-6-carboxylic acid (PubChem CID 82212970) has the molecular formula C12H10ClN3O4 and a molecular weight of 295.68 g/mol. Its IUPAC name is 8-chloro-1-(2-hydrazinyl-2-oxoethyl)-2-oxoquinoline-6-carboxylic acid.

Molecular Properties

Compound Name8-chloro-1-(2-hydrazinyl-2-oxoethyl)-2-oxoquinoline-6-carboxylic acid
PubChem CID82212970
Molecular FormulaC12H10ClN3O4
Molecular Weight295.68 g/mol
Exact Mass295.04
IUPAC Name8-chloro-1-(2-hydrazinyl-2-oxoethyl)-2-oxoquinoline-6-carboxylic acid
SMILESNNC(=O)Cn1c(=O)ccc2cc(C(=O)O)cc(Cl)c21
InChIInChI=1S/C12H10ClN3O4/c13-8-4-7(12(19)20)3-6-1-2-10(18)16(11(6)8)5-9(17)15-14/h1-4H,5,14H2,(H,15,17)(H,19,20)
InChIKeyLVXLMWARNCNCCY-UHFFFAOYSA-N
XLogP0.34
TPSA114.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.68
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-chloro-1-(2-methylpropyl)-2-oxoquinoline-6-carboxylic acid
CID 82212983
8-bromo-2-oxo-1-(2-oxopropyl)quinoline-6-carboxylic acid
CID 82213036
1-(2-amino-2-oxoethyl)-2-oxo-8-propan-2-ylquinoline-6-carboxylic acid
CID 82213114
1-[(2-chlorophenyl)methyl]-8-methyl-2-oxoquinoline-6-carboxylic acid
CID 82213063
1-(2-hydroxyethyl)-8-methyl-2-oxoquinoline-6-carboxylic acid
CID 82213077
8-ethyl-1-[(4-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
CID 94947438
8-fluoro-1-[(4-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
CID 94947467
8-bromo-1-(3-hydroxypropyl)-2-oxoquinoline-6-carboxylic acid
CID 82213037
8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid
CID 94947485
8-ethyl-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
CID 94947439
2-oxo-8-propan-2-yl-1-prop-2-enylquinoline-6-carboxylic acid
CID 82213115
1-methyl-2-oxo-8-(trifluoromethyl)quinoline-6-carboxylic acid
CID 82213142

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-(2-hydrazinyl-2-oxoethyl)-2-oxoquinoline-6-carboxylic acid?
The IUPAC name of 8-chloro-1-(2-hydrazinyl-2-oxoethyl)-2-oxoquinoline-6-carboxylic acid (CID 82212970) is 8-chloro-1-(2-hydrazinyl-2-oxoethyl)-2-oxoquinoline-6-carboxylic acid.
What is the SMILES notation for 8-chloro-1-(2-hydrazinyl-2-oxoethyl)-2-oxoquinoline-6-carboxylic acid?
The canonical SMILES for 8-chloro-1-(2-hydrazinyl-2-oxoethyl)-2-oxoquinoline-6-carboxylic acid is NNC(=O)Cn1c(=O)ccc2cc(C(=O)O)cc(Cl)c21.
What is the InChIKey of 8-chloro-1-(2-hydrazinyl-2-oxoethyl)-2-oxoquinoline-6-carboxylic acid?
The InChIKey is LVXLMWARNCNCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O4/c13-8-4-7(12(19)20)3-6-1-2-10(18)16(11(6)8)5-9(17)15-14/h1-4H,5,14H2,(H,15,17)(H,19,20).
What are the key properties of 8-chloro-1-(2-hydrazinyl-2-oxoethyl)-2-oxoquinoline-6-carboxylic acid?
8-chloro-1-(2-hydrazinyl-2-oxoethyl)-2-oxoquinoline-6-carboxylic acid has a molecular weight of 295.68 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-(2-hydrazinyl-2-oxoethyl)-2-oxoquinoline-6-carboxylic acid is sourced from PubChem (CID 82212970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).