2-[4-(dimethylamino)-6,8-dimethoxyquinolin-1-ium-2-yl]acetate

C15H18N2O4 — CID 39234664

IUPAC2-[4-(dimethylamino)-6,8-dimethoxyquinolin-1-ium-2-yl]acetate
SMILESCOc1cc(OC)c2[nH+]c(CC(=O)[O-])cc(N(C)C)c2c1
InChIInChI=1S/C15H18N2O4/c1-17(2)12-5-9(6-14(18)19)16-15-11(12)7-10(20-3)8-13(15)21-4/h5,7-8H,6H2,1-4H3,(H,18,19)
InChIKeyBBBRPFOVYLFUNS-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.03
Rot. Bonds5

About 2-[4-(dimethylamino)-6,8-dimethoxyquinolin-1-ium-2-yl]acetate

2-[4-(dimethylamino)-6,8-dimethoxyquinolin-1-ium-2-yl]acetate (PubChem CID 39234664) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-6,8-dimethoxyquinolin-1-ium-2-yl]acetate.

Molecular Properties

Compound Name2-[4-(dimethylamino)-6,8-dimethoxyquinolin-1-ium-2-yl]acetate
PubChem CID39234664
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[4-(dimethylamino)-6,8-dimethoxyquinolin-1-ium-2-yl]acetate
SMILESCOc1cc(OC)c2[nH+]c(CC(=O)[O-])cc(N(C)C)c2c1
InChIInChI=1S/C15H18N2O4/c1-17(2)12-5-9(6-14(18)19)16-15-11(12)7-10(20-3)8-13(15)21-4/h5,7-8H,6H2,1-4H3,(H,18,19)
InChIKeyBBBRPFOVYLFUNS-UHFFFAOYSA-N
XLogP0.03
TPSA75.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(dimethylamino)-6,8-dimethoxyquinolin-2-yl]acetic acid
CID 39234665
2,4,6-trimethoxy-N-methyl-N-oxidobenzamide
CID 163503558
2-(3-bromo-4-hydroxy-5-methoxyphenyl)acetate
CID 7016572
methyl 2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]acetate
CID 115232990
(2,4,6-trimethoxyphenyl) acetate
CID 68597137
propan-2-yl 2-(2,4,6-trimethoxyphenyl)acetate
CID 96708288
2,4-dimethoxy-6-pentylphenol
CID 13197794
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
2,4-dimethoxy-6-pentylbenzoic acid
CID 12658769
2-hydroxy-N-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide
CID 115139976
4-(2,4,6-trimethoxy-N-methylanilino)butan-2-one
CID 115235550
3-(5,7-dimethoxy-1-methylindol-3-yl)propanoic acid
CID 82501282

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-6,8-dimethoxyquinolin-1-ium-2-yl]acetate?
The IUPAC name of 2-[4-(dimethylamino)-6,8-dimethoxyquinolin-1-ium-2-yl]acetate (CID 39234664) is 2-[4-(dimethylamino)-6,8-dimethoxyquinolin-1-ium-2-yl]acetate.
What is the SMILES notation for 2-[4-(dimethylamino)-6,8-dimethoxyquinolin-1-ium-2-yl]acetate?
The canonical SMILES for 2-[4-(dimethylamino)-6,8-dimethoxyquinolin-1-ium-2-yl]acetate is COc1cc(OC)c2[nH+]c(CC(=O)[O-])cc(N(C)C)c2c1.
What is the InChIKey of 2-[4-(dimethylamino)-6,8-dimethoxyquinolin-1-ium-2-yl]acetate?
The InChIKey is BBBRPFOVYLFUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-17(2)12-5-9(6-14(18)19)16-15-11(12)7-10(20-3)8-13(15)21-4/h5,7-8H,6H2,1-4H3,(H,18,19).
What are the key properties of 2-[4-(dimethylamino)-6,8-dimethoxyquinolin-1-ium-2-yl]acetate?
2-[4-(dimethylamino)-6,8-dimethoxyquinolin-1-ium-2-yl]acetate has a molecular weight of 290.32 g/mol, XLogP of 0.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-6,8-dimethoxyquinolin-1-ium-2-yl]acetate is sourced from PubChem (CID 39234664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).