6-chloro-2-oxo-8-[(pyrazine-2-carbonylamino)methyl]-1H-quinoline-3-carboxylic acid

C16H11ClN4O4 — CID 71077568

IUPAC6-chloro-2-oxo-8-[(pyrazine-2-carbonylamino)methyl]-1H-quinoline-3-carboxylic acid
SMILESO=C(NCc1cc(Cl)cc2cc(C(=O)O)c(=O)[nH]c12)c1cnccn1
InChIInChI=1S/C16H11ClN4O4/c17-10-3-8-5-11(16(24)25)14(22)21-13(8)9(4-10)6-20-15(23)12-7-18-1-2-19-12/h1-5,7H,6H2,(H,20,23)(H,21,22)(H,24,25)
InChIKeySEJVKQBTEMUHTQ-UHFFFAOYSA-N
MW358.74 g/mol
LogP1.60
Rot. Bonds4

About 6-chloro-2-oxo-8-[(pyrazine-2-carbonylamino)methyl]-1H-quinoline-3-carboxylic acid

6-chloro-2-oxo-8-[(pyrazine-2-carbonylamino)methyl]-1H-quinoline-3-carboxylic acid (PubChem CID 71077568) has the molecular formula C16H11ClN4O4 and a molecular weight of 358.74 g/mol. Its IUPAC name is 6-chloro-2-oxo-8-[(pyrazine-2-carbonylamino)methyl]-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-oxo-8-[(pyrazine-2-carbonylamino)methyl]-1H-quinoline-3-carboxylic acid
PubChem CID71077568
Molecular FormulaC16H11ClN4O4
Molecular Weight358.74 g/mol
Exact Mass358.05
IUPAC Name6-chloro-2-oxo-8-[(pyrazine-2-carbonylamino)methyl]-1H-quinoline-3-carboxylic acid
SMILESO=C(NCc1cc(Cl)cc2cc(C(=O)O)c(=O)[nH]c12)c1cnccn1
InChIInChI=1S/C16H11ClN4O4/c17-10-3-8-5-11(16(24)25)14(22)21-13(8)9(4-10)6-20-15(23)12-7-18-1-2-19-12/h1-5,7H,6H2,(H,20,23)(H,21,22)(H,24,25)
InChIKeySEJVKQBTEMUHTQ-UHFFFAOYSA-N
XLogP1.60
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.74
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-oxo-8-[(pyridin-3-ylcarbamoylamino)methyl]-1H-quinoline-3-carboxylic acid
CID 71077330
6-chloro-2-oxo-8-[(quinoline-3-carbonylamino)methyl]-1H-quinoline-3-carboxylic acid
CID 71077399
6-chloro-2-oxo-8-[[[2-(2,4,5-trifluorophenyl)acetyl]amino]methyl]-1H-quinoline-3-carboxylic acid
CID 71077641
6-chloro-8-[[[2-(2-methylphenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid
CID 71077439
6-chloro-8-[[[2-(4-fluoro-2-methylphenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid
CID 71077704
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]pyrazine-2-carboxamide
CID 110794198
N-[(4-chloro-2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 110482106
8-bromo-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid
CID 114553154
6-chloro-8-[[[2-(2,6-difluorophenyl)-2-ethoxyacetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid
CID 71077378
8-carbamoyl-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid
CID 71077296
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N-[(2,5-dimethylfuran-3-yl)methyl]pyrazine-2-carboxamide
CID 56765538

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-oxo-8-[(pyrazine-2-carbonylamino)methyl]-1H-quinoline-3-carboxylic acid?
The IUPAC name of 6-chloro-2-oxo-8-[(pyrazine-2-carbonylamino)methyl]-1H-quinoline-3-carboxylic acid (CID 71077568) is 6-chloro-2-oxo-8-[(pyrazine-2-carbonylamino)methyl]-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-oxo-8-[(pyrazine-2-carbonylamino)methyl]-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-oxo-8-[(pyrazine-2-carbonylamino)methyl]-1H-quinoline-3-carboxylic acid is O=C(NCc1cc(Cl)cc2cc(C(=O)O)c(=O)[nH]c12)c1cnccn1.
What is the InChIKey of 6-chloro-2-oxo-8-[(pyrazine-2-carbonylamino)methyl]-1H-quinoline-3-carboxylic acid?
The InChIKey is SEJVKQBTEMUHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O4/c17-10-3-8-5-11(16(24)25)14(22)21-13(8)9(4-10)6-20-15(23)12-7-18-1-2-19-12/h1-5,7H,6H2,(H,20,23)(H,21,22)(H,24,25).
What are the key properties of 6-chloro-2-oxo-8-[(pyrazine-2-carbonylamino)methyl]-1H-quinoline-3-carboxylic acid?
6-chloro-2-oxo-8-[(pyrazine-2-carbonylamino)methyl]-1H-quinoline-3-carboxylic acid has a molecular weight of 358.74 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-oxo-8-[(pyrazine-2-carbonylamino)methyl]-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 71077568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).