4-(2-methoxyethylamino)-2-methylquinoline-6-carboxylic acid

C14H16N2O3 — CID 7137915

IUPAC4-(2-methoxyethylamino)-2-methylquinoline-6-carboxylic acid
SMILESCOCCNc1cc(C)nc2ccc(C(=O)O)cc12
InChIInChI=1S/C14H16N2O3/c1-9-7-13(15-5-6-19-2)11-8-10(14(17)18)3-4-12(11)16-9/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyZCJGFWUGJDEXQQ-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.30
Rot. Bonds5

About 4-(2-methoxyethylamino)-2-methylquinoline-6-carboxylic acid

4-(2-methoxyethylamino)-2-methylquinoline-6-carboxylic acid (PubChem CID 7137915) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-(2-methoxyethylamino)-2-methylquinoline-6-carboxylic acid.

Molecular Properties

Compound Name4-(2-methoxyethylamino)-2-methylquinoline-6-carboxylic acid
PubChem CID7137915
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-(2-methoxyethylamino)-2-methylquinoline-6-carboxylic acid
SMILESCOCCNc1cc(C)nc2ccc(C(=O)O)cc12
InChIInChI=1S/C14H16N2O3/c1-9-7-13(15-5-6-19-2)11-8-10(14(17)18)3-4-12(11)16-9/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyZCJGFWUGJDEXQQ-UHFFFAOYSA-N
XLogP2.30
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

sodium;4-[2-(dimethylamino)ethylamino]-2-methylquinoline-6-carboxylic acid;hydroxide
CID 172712956
2-methyl-4-(2-pyridin-4-ylethylamino)quinoline-6-carboxylic acid
CID 7137912
3-[(6-methoxycarbonyl-2-methylquinolin-4-yl)amino]benzoic acid
CID 730953
4-(2,4-dimethylanilino)-2-methylquinoline-6-carboxylic acid
CID 7719183
methyl 4-anilino-2-methylquinoline-6-carboxylate
CID 730938
4-[[4-(2-carboxyphenyl)phenyl]methylamino]-2-methylquinoline-6-carboxylic acid
CID 54071769
ethyl 4-[(4-tert-butylbenzoyl)amino]-2-methylquinoline-6-carboxylate
CID 17016302
methyl 4-(3,4-dimethylanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2790970
2-[2-[(2-methylquinolin-4-yl)amino]ethoxy]acetamide
CID 106239415
4-amino-2-methylquinoline-6-carboxylic acid;hydrochloride
CID 139269662
2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-4-carboxylic acid
CID 113378613
8-bromo-N-(2-methoxyethyl)-2-methylquinolin-4-amine
CID 110432998

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylamino)-2-methylquinoline-6-carboxylic acid?
The IUPAC name of 4-(2-methoxyethylamino)-2-methylquinoline-6-carboxylic acid (CID 7137915) is 4-(2-methoxyethylamino)-2-methylquinoline-6-carboxylic acid.
What is the SMILES notation for 4-(2-methoxyethylamino)-2-methylquinoline-6-carboxylic acid?
The canonical SMILES for 4-(2-methoxyethylamino)-2-methylquinoline-6-carboxylic acid is COCCNc1cc(C)nc2ccc(C(=O)O)cc12.
What is the InChIKey of 4-(2-methoxyethylamino)-2-methylquinoline-6-carboxylic acid?
The InChIKey is ZCJGFWUGJDEXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-7-13(15-5-6-19-2)11-8-10(14(17)18)3-4-12(11)16-9/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 4-(2-methoxyethylamino)-2-methylquinoline-6-carboxylic acid?
4-(2-methoxyethylamino)-2-methylquinoline-6-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylamino)-2-methylquinoline-6-carboxylic acid is sourced from PubChem (CID 7137915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).