4-amino-2-methylquinoline-6-carboxylic acid;hydrochloride

C11H11ClN2O2 — CID 139269662

IUPAC4-amino-2-methylquinoline-6-carboxylic acid;hydrochloride
SMILESCc1cc(N)c2cc(C(=O)O)ccc2n1.Cl
InChIInChI=1S/C11H10N2O2.ClH/c1-6-4-9(12)8-5-7(11(14)15)2-3-10(8)13-6;/h2-5H,1H3,(H2,12,13)(H,14,15);1H
InChIKeyINRKTBGXAIVOQW-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.25
Rot. Bonds1

About 4-amino-2-methylquinoline-6-carboxylic acid;hydrochloride

4-amino-2-methylquinoline-6-carboxylic acid;hydrochloride (PubChem CID 139269662) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 4-amino-2-methylquinoline-6-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-amino-2-methylquinoline-6-carboxylic acid;hydrochloride
PubChem CID139269662
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name4-amino-2-methylquinoline-6-carboxylic acid;hydrochloride
SMILESCc1cc(N)c2cc(C(=O)O)ccc2n1.Cl
InChIInChI=1S/C11H10N2O2.ClH/c1-6-4-9(12)8-5-7(11(14)15)2-3-10(8)13-6;/h2-5H,1H3,(H2,12,13)(H,14,15);1H
InChIKeyINRKTBGXAIVOQW-UHFFFAOYSA-N
XLogP2.25
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-bis(4-amino-2-methylquinolin-6-yl)urea;dihydrochloride
CID 21115634
4-amino-N-benzyl-2-methylquinoline-6-carboxamide
CID 15133405
2-(4-amino-2-methylquinolin-6-yl)propanediamide
CID 163898089
1,3-bis(4-amino-2-methylquinolin-6-yl)urea;urea;hydrochloride
CID 89405609
1,3-bis(4-amino-2-methylquinolin-6-yl)urea;hydron;dichloride
CID 67107964
6-iodo-2-methylquinolin-4-amine
CID 62201802
6-[4-(4-amino-2-methylquinolin-6-yl)oxybutoxy]-2-methylquinolin-4-amine;dihydrochloride
CID 163277411
2-methyl-4-piperidin-1-ylquinoline-6-carboxylic acid
CID 7137984
2-amino-4-methylquinoline-7-carboxylic acid
CID 14359530
4-(2,4-dimethylanilino)-2-methylquinoline-6-carboxylic acid
CID 7719183
2-methyl-4-piperazin-4-ium-1-ylquinoline-6-carboxylic acid
CID 7137891
2-methyl-4-prop-2-enoxyquinoline-6-carboxylic acid
CID 102536835

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methylquinoline-6-carboxylic acid;hydrochloride?
The IUPAC name of 4-amino-2-methylquinoline-6-carboxylic acid;hydrochloride (CID 139269662) is 4-amino-2-methylquinoline-6-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-amino-2-methylquinoline-6-carboxylic acid;hydrochloride?
The canonical SMILES for 4-amino-2-methylquinoline-6-carboxylic acid;hydrochloride is Cc1cc(N)c2cc(C(=O)O)ccc2n1.Cl.
What is the InChIKey of 4-amino-2-methylquinoline-6-carboxylic acid;hydrochloride?
The InChIKey is INRKTBGXAIVOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2.ClH/c1-6-4-9(12)8-5-7(11(14)15)2-3-10(8)13-6;/h2-5H,1H3,(H2,12,13)(H,14,15);1H.
What are the key properties of 4-amino-2-methylquinoline-6-carboxylic acid;hydrochloride?
4-amino-2-methylquinoline-6-carboxylic acid;hydrochloride has a molecular weight of 238.67 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methylquinoline-6-carboxylic acid;hydrochloride is sourced from PubChem (CID 139269662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).