7-chloro-8-methyl-4-oxo-1H-quinoline-2-carboxylic acid

C11H8ClNO3 — CID 63376863

IUPAC7-chloro-8-methyl-4-oxo-1H-quinoline-2-carboxylic acid
SMILESCc1c(Cl)ccc2c(=O)cc(C(=O)O)[nH]c12
InChIInChI=1S/C11H8ClNO3/c1-5-7(12)3-2-6-9(14)4-8(11(15)16)13-10(5)6/h2-4H,1H3,(H,13,14)(H,15,16)
InChIKeyHVVMMXRLTHSOKN-UHFFFAOYSA-N
MW237.64 g/mol
LogP2.19
Rot. Bonds1

About 7-chloro-8-methyl-4-oxo-1H-quinoline-2-carboxylic acid

7-chloro-8-methyl-4-oxo-1H-quinoline-2-carboxylic acid (PubChem CID 63376863) has the molecular formula C11H8ClNO3 and a molecular weight of 237.64 g/mol. Its IUPAC name is 7-chloro-8-methyl-4-oxo-1H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name7-chloro-8-methyl-4-oxo-1H-quinoline-2-carboxylic acid
PubChem CID63376863
Molecular FormulaC11H8ClNO3
Molecular Weight237.64 g/mol
Exact Mass237.02
IUPAC Name7-chloro-8-methyl-4-oxo-1H-quinoline-2-carboxylic acid
SMILESCc1c(Cl)ccc2c(=O)cc(C(=O)O)[nH]c12
InChIInChI=1S/C11H8ClNO3/c1-5-7(12)3-2-6-9(14)4-8(11(15)16)13-10(5)6/h2-4H,1H3,(H,13,14)(H,15,16)
InChIKeyHVVMMXRLTHSOKN-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-8-methyl-4-oxo-1H-quinoline-2-carboxylic acid?
The IUPAC name of 7-chloro-8-methyl-4-oxo-1H-quinoline-2-carboxylic acid (CID 63376863) is 7-chloro-8-methyl-4-oxo-1H-quinoline-2-carboxylic acid.
What is the SMILES notation for 7-chloro-8-methyl-4-oxo-1H-quinoline-2-carboxylic acid?
The canonical SMILES for 7-chloro-8-methyl-4-oxo-1H-quinoline-2-carboxylic acid is Cc1c(Cl)ccc2c(=O)cc(C(=O)O)[nH]c12.
What is the InChIKey of 7-chloro-8-methyl-4-oxo-1H-quinoline-2-carboxylic acid?
The InChIKey is HVVMMXRLTHSOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3/c1-5-7(12)3-2-6-9(14)4-8(11(15)16)13-10(5)6/h2-4H,1H3,(H,13,14)(H,15,16).
What are the key properties of 7-chloro-8-methyl-4-oxo-1H-quinoline-2-carboxylic acid?
7-chloro-8-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-8-methyl-4-oxo-1H-quinoline-2-carboxylic acid is sourced from PubChem (CID 63376863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).