6-chloro-8-hydroxy-2-methylquinoline-4-carboxylic acid

C11H8ClNO3 — CID 154201700

IUPAC6-chloro-8-hydroxy-2-methylquinoline-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2cc(Cl)cc(O)c2n1
InChIInChI=1S/C11H8ClNO3/c1-5-2-8(11(15)16)7-3-6(12)4-9(14)10(7)13-5/h2-4,14H,1H3,(H,15,16)
InChIKeyDVZPTHVWIQDUHJ-UHFFFAOYSA-N
MW237.64 g/mol
LogP2.60
Rot. Bonds1

About 6-chloro-8-hydroxy-2-methylquinoline-4-carboxylic acid

6-chloro-8-hydroxy-2-methylquinoline-4-carboxylic acid (PubChem CID 154201700) has the molecular formula C11H8ClNO3 and a molecular weight of 237.64 g/mol. Its IUPAC name is 6-chloro-8-hydroxy-2-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-8-hydroxy-2-methylquinoline-4-carboxylic acid
PubChem CID154201700
Molecular FormulaC11H8ClNO3
Molecular Weight237.64 g/mol
Exact Mass237.02
IUPAC Name6-chloro-8-hydroxy-2-methylquinoline-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2cc(Cl)cc(O)c2n1
InChIInChI=1S/C11H8ClNO3/c1-5-2-8(11(15)16)7-3-6(12)4-9(14)10(7)13-5/h2-4,14H,1H3,(H,15,16)
InChIKeyDVZPTHVWIQDUHJ-UHFFFAOYSA-N
XLogP2.60
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.64
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2,4-dimethylquinoline-8-carboxylic acid
CID 82574745
6-bromo-8-chloro-2-methylquinoline-4-carboxylic acid
CID 82184087
methyl 6,8-dichloro-2-methylquinoline-4-carboxylate
CID 82574672
8-bromo-2,6-dimethylquinoline-4-carboxylic acid
CID 82184081
4-chloro-2,6-dimethylquinoline-8-carboxylic acid
CID 82574820
5,6,8-trichloro-2-methylquinoline-4-carboxylic acid
CID 82574812
2-(6,8-dichloro-2-methylquinolin-4-yl)acetic acid
CID 82449379
6-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid
CID 5024097
2-chloro-8-hydroxyquinoline-4-carboxylic acid
CID 115034200
(E)-3-[6-chloro-4-(dimethylamino)-2-methylquinolin-8-yl]prop-2-enoic acid
CID 82580289
6-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid
CID 4261333
7-chloro-3-methylisoquinoline-1-carboxylic acid
CID 84687227

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-hydroxy-2-methylquinoline-4-carboxylic acid?
The IUPAC name of 6-chloro-8-hydroxy-2-methylquinoline-4-carboxylic acid (CID 154201700) is 6-chloro-8-hydroxy-2-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-chloro-8-hydroxy-2-methylquinoline-4-carboxylic acid?
The canonical SMILES for 6-chloro-8-hydroxy-2-methylquinoline-4-carboxylic acid is Cc1cc(C(=O)O)c2cc(Cl)cc(O)c2n1.
What is the InChIKey of 6-chloro-8-hydroxy-2-methylquinoline-4-carboxylic acid?
The InChIKey is DVZPTHVWIQDUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3/c1-5-2-8(11(15)16)7-3-6(12)4-9(14)10(7)13-5/h2-4,14H,1H3,(H,15,16).
What are the key properties of 6-chloro-8-hydroxy-2-methylquinoline-4-carboxylic acid?
6-chloro-8-hydroxy-2-methylquinoline-4-carboxylic acid has a molecular weight of 237.64 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-hydroxy-2-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 154201700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).