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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Related Compounds

6-chloro-5-methyl-1-oxo-2H-isoquinoline-3-carboxylic acid
CID 114517705
7-chloro-2-ethyl-8-methyl-1H-quinolin-4-one
CID 43668132
7-chloro-6-methyl-4-oxo-1H-quinoline-2-carboxylic acid
CID 22017490
7-chloro-2-(difluoromethyl)-8-methyl-1H-quinolin-4-one
CID 62891407
8-bis(3-chloro-4-methylphenyl)boranyloxy-4-oxo-1H-quinoline-2-carboxylic acid
CID 10389791
8-chloro-6-iodo-4-oxo-1H-quinoline-2-carboxylic acid
CID 107608030
1-(6-chloro-2,7-dimethyl-1H-indol-3-yl)ethanone
CID 82494396
5-methyl-4,6-dioxo-1,9-dihydropyrido[3,2-g]quinoline-2,8,10-tricarboxylic acid
CID 21392539
7-chloro-8-methyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 6501545
4-oxo-8-phenyl-1H-quinoline-2-carboxylic acid
CID 63376604
8-chloro-5-methyl-1-oxo-2H-isoquinoline-3-carboxylic acid
CID 114517698
8-benzoyl-6-chloro-4-oxo-1H-quinoline-2-carboxylic acid
CID 90673417

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).