7-chloro-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid

C11H8ClNO3 — CID 82243483

IUPAC7-chloro-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid
SMILESCc1c(C(=O)O)[nH]c2cc(Cl)ccc2c1=O
InChIInChI=1S/C11H8ClNO3/c1-5-9(11(15)16)13-8-4-6(12)2-3-7(8)10(5)14/h2-4H,1H3,(H,13,14)(H,15,16)
InChIKeyCSVVKYFBAAJIEM-UHFFFAOYSA-N
MW237.64 g/mol
LogP2.19
Rot. Bonds1

About 7-chloro-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid

7-chloro-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid (PubChem CID 82243483) has the molecular formula C11H8ClNO3 and a molecular weight of 237.64 g/mol. Its IUPAC name is 7-chloro-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name7-chloro-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid
PubChem CID82243483
Molecular FormulaC11H8ClNO3
Molecular Weight237.64 g/mol
Exact Mass237.02
IUPAC Name7-chloro-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid
SMILESCc1c(C(=O)O)[nH]c2cc(Cl)ccc2c1=O
InChIInChI=1S/C11H8ClNO3/c1-5-9(11(15)16)13-8-4-6(12)2-3-7(8)10(5)14/h2-4H,1H3,(H,13,14)(H,15,16)
InChIKeyCSVVKYFBAAJIEM-UHFFFAOYSA-N
XLogP2.19
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.64
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid?
The IUPAC name of 7-chloro-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid (CID 82243483) is 7-chloro-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid.
What is the SMILES notation for 7-chloro-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid?
The canonical SMILES for 7-chloro-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid is Cc1c(C(=O)O)[nH]c2cc(Cl)ccc2c1=O.
What is the InChIKey of 7-chloro-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid?
The InChIKey is CSVVKYFBAAJIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3/c1-5-9(11(15)16)13-8-4-6(12)2-3-7(8)10(5)14/h2-4H,1H3,(H,13,14)(H,15,16).
What are the key properties of 7-chloro-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid?
7-chloro-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid has a molecular weight of 237.64 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid is sourced from PubChem (CID 82243483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).