6-methylquinoline-4-carboxylic acid;6-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid

C22H22N2O4 — CID 161139788

IUPAC6-methylquinoline-4-carboxylic acid;6-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
SMILESCc1ccc2c(c1)C(C(=O)O)CCN2.Cc1ccc2nccc(C(=O)O)c2c1
InChIInChI=1S/C11H13NO2.C11H9NO2/c2*1-7-2-3-10-9(6-7)8(11(13)14)4-5-12-10/h2-3,6,8,12H,4-5H2,1H3,(H,13,14);2-6H,1H3,(H,13,14)
InChIKeyUNGZHROQBOXGNY-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.22
Rot. Bonds2

About 6-methylquinoline-4-carboxylic acid;6-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid

6-methylquinoline-4-carboxylic acid;6-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid (PubChem CID 161139788) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 6-methylquinoline-4-carboxylic acid;6-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-methylquinoline-4-carboxylic acid;6-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
PubChem CID161139788
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name6-methylquinoline-4-carboxylic acid;6-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
SMILESCc1ccc2c(c1)C(C(=O)O)CCN2.Cc1ccc2nccc(C(=O)O)c2c1
InChIInChI=1S/C11H13NO2.C11H9NO2/c2*1-7-2-3-10-9(6-7)8(11(13)14)4-5-12-10/h2-3,6,8,12H,4-5H2,1H3,(H,13,14);2-6H,1H3,(H,13,14)
InChIKeyUNGZHROQBOXGNY-UHFFFAOYSA-N
XLogP4.22
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methylquinoline-4-carboxylic acid;6-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid?
The IUPAC name of 6-methylquinoline-4-carboxylic acid;6-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid (CID 161139788) is 6-methylquinoline-4-carboxylic acid;6-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid.
What is the SMILES notation for 6-methylquinoline-4-carboxylic acid;6-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid?
The canonical SMILES for 6-methylquinoline-4-carboxylic acid;6-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid is Cc1ccc2c(c1)C(C(=O)O)CCN2.Cc1ccc2nccc(C(=O)O)c2c1.
What is the InChIKey of 6-methylquinoline-4-carboxylic acid;6-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid?
The InChIKey is UNGZHROQBOXGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.C11H9NO2/c2*1-7-2-3-10-9(6-7)8(11(13)14)4-5-12-10/h2-3,6,8,12H,4-5H2,1H3,(H,13,14);2-6H,1H3,(H,13,14).
What are the key properties of 6-methylquinoline-4-carboxylic acid;6-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid?
6-methylquinoline-4-carboxylic acid;6-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid has a molecular weight of 378.43 g/mol, XLogP of 4.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylquinoline-4-carboxylic acid;6-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid is sourced from PubChem (CID 161139788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).