8-[amino(pyridin-2-yl)methyl]-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid

C16H12ClN3O3 — CID 71077433

IUPAC8-[amino(pyridin-2-yl)methyl]-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid
SMILESNC(c1ccccn1)c1cc(Cl)cc2cc(C(=O)O)c(=O)[nH]c12
InChIInChI=1S/C16H12ClN3O3/c17-9-5-8-6-11(16(22)23)15(21)20-14(8)10(7-9)13(18)12-3-1-2-4-19-12/h1-7,13H,18H2,(H,20,21)(H,22,23)
InChIKeyAXLBFUSKZLMBGB-UHFFFAOYSA-N
MW329.74 g/mol
LogP2.32
Rot. Bonds3

About 8-[amino(pyridin-2-yl)methyl]-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid

8-[amino(pyridin-2-yl)methyl]-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 71077433) has the molecular formula C16H12ClN3O3 and a molecular weight of 329.74 g/mol. Its IUPAC name is 8-[amino(pyridin-2-yl)methyl]-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-[amino(pyridin-2-yl)methyl]-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid
PubChem CID71077433
Molecular FormulaC16H12ClN3O3
Molecular Weight329.74 g/mol
Exact Mass329.06
IUPAC Name8-[amino(pyridin-2-yl)methyl]-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid
SMILESNC(c1ccccn1)c1cc(Cl)cc2cc(C(=O)O)c(=O)[nH]c12
InChIInChI=1S/C16H12ClN3O3/c17-9-5-8-6-11(16(22)23)15(21)20-14(8)10(7-9)13(18)12-3-1-2-4-19-12/h1-7,13H,18H2,(H,20,21)(H,22,23)
InChIKeyAXLBFUSKZLMBGB-UHFFFAOYSA-N
XLogP2.32
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[amino(pyridin-2-yl)methyl]-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 8-[amino(pyridin-2-yl)methyl]-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid (CID 71077433) is 8-[amino(pyridin-2-yl)methyl]-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 8-[amino(pyridin-2-yl)methyl]-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 8-[amino(pyridin-2-yl)methyl]-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid is NC(c1ccccn1)c1cc(Cl)cc2cc(C(=O)O)c(=O)[nH]c12.
What is the InChIKey of 8-[amino(pyridin-2-yl)methyl]-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is AXLBFUSKZLMBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3/c17-9-5-8-6-11(16(22)23)15(21)20-14(8)10(7-9)13(18)12-3-1-2-4-19-12/h1-7,13H,18H2,(H,20,21)(H,22,23).
What are the key properties of 8-[amino(pyridin-2-yl)methyl]-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid?
8-[amino(pyridin-2-yl)methyl]-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 329.74 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[amino(pyridin-2-yl)methyl]-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 71077433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).