2-[[3-carboxy-6-(dimethylamino)quinolin-4-yl]amino]ethyl-dimethylazanium

C16H23N4O2+ — CID 7719246

IUPAC2-[[3-carboxy-6-(dimethylamino)quinolin-4-yl]amino]ethyl-dimethylazanium
SMILESCN(C)c1ccc2ncc(C(=O)O)c(NCC[NH+](C)C)c2c1
InChIInChI=1S/C16H22N4O2/c1-19(2)8-7-17-15-12-9-11(20(3)4)5-6-14(12)18-10-13(15)16(21)22/h5-6,9-10H,7-8H2,1-4H3,(H,17,18)(H,21,22)/p+1
InChIKeyCWCUMEFGPPHUFS-UHFFFAOYSA-O
MW303.39 g/mol
LogP0.56
Rot. Bonds6

About 2-[[3-carboxy-6-(dimethylamino)quinolin-4-yl]amino]ethyl-dimethylazanium

2-[[3-carboxy-6-(dimethylamino)quinolin-4-yl]amino]ethyl-dimethylazanium (PubChem CID 7719246) has the molecular formula C16H23N4O2+ and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-[[3-carboxy-6-(dimethylamino)quinolin-4-yl]amino]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[[3-carboxy-6-(dimethylamino)quinolin-4-yl]amino]ethyl-dimethylazanium
PubChem CID7719246
Molecular FormulaC16H23N4O2+
Molecular Weight303.39 g/mol
Exact Mass303.18
IUPAC Name2-[[3-carboxy-6-(dimethylamino)quinolin-4-yl]amino]ethyl-dimethylazanium
SMILESCN(C)c1ccc2ncc(C(=O)O)c(NCC[NH+](C)C)c2c1
InChIInChI=1S/C16H22N4O2/c1-19(2)8-7-17-15-12-9-11(20(3)4)5-6-14(12)18-10-13(15)16(21)22/h5-6,9-10H,7-8H2,1-4H3,(H,17,18)(H,21,22)/p+1
InChIKeyCWCUMEFGPPHUFS-UHFFFAOYSA-O
XLogP0.56
TPSA69.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(dimethylamino)-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid
CID 7719227
4-[4-(dimethylamino)anilino]quinoline-3,6-dicarboxylic acid;hydrochloride
CID 22694130
6-chloro-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid;hydrochloride
CID 20982489
3-[[3,6-bis(ethoxycarbonyl)quinolin-4-yl]amino]propyl-dimethylazanium
CID 3354208
ethyl 4-chloro-6-(dimethylamino)quinoline-3-carboxylate
CID 43617132
6-(dimethylamino)-4-(propylamino)quinoline-3-carbonitrile
CID 62187998
4-(2-methoxyethylamino)quinoline-3-carboxylic acid
CID 61340793
6-chloro-4-[[2-(dipropylamino)-2-oxoethyl]amino]quinoline-3-carboxylic acid
CID 21283433
diethyl 4-[2-(dimethylamino)ethylamino]quinoline-3,6-dicarboxylate
CID 1078338
4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride
CID 20982484
4-(6-hydroxyhexylamino)quinoline-3-carboxylic acid
CID 107853405
3-O-ethyl 6-O-methyl 4-[2-(dimethylamino)ethylamino]quinoline-3,6-dicarboxylate
CID 725474

Frequently Asked Questions

What is the IUPAC name of 2-[[3-carboxy-6-(dimethylamino)quinolin-4-yl]amino]ethyl-dimethylazanium?
The IUPAC name of 2-[[3-carboxy-6-(dimethylamino)quinolin-4-yl]amino]ethyl-dimethylazanium (CID 7719246) is 2-[[3-carboxy-6-(dimethylamino)quinolin-4-yl]amino]ethyl-dimethylazanium.
What is the SMILES notation for 2-[[3-carboxy-6-(dimethylamino)quinolin-4-yl]amino]ethyl-dimethylazanium?
The canonical SMILES for 2-[[3-carboxy-6-(dimethylamino)quinolin-4-yl]amino]ethyl-dimethylazanium is CN(C)c1ccc2ncc(C(=O)O)c(NCC[NH+](C)C)c2c1.
What is the InChIKey of 2-[[3-carboxy-6-(dimethylamino)quinolin-4-yl]amino]ethyl-dimethylazanium?
The InChIKey is CWCUMEFGPPHUFS-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H22N4O2/c1-19(2)8-7-17-15-12-9-11(20(3)4)5-6-14(12)18-10-13(15)16(21)22/h5-6,9-10H,7-8H2,1-4H3,(H,17,18)(H,21,22)/p+1.
What are the key properties of 2-[[3-carboxy-6-(dimethylamino)quinolin-4-yl]amino]ethyl-dimethylazanium?
2-[[3-carboxy-6-(dimethylamino)quinolin-4-yl]amino]ethyl-dimethylazanium has a molecular weight of 303.39 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-carboxy-6-(dimethylamino)quinolin-4-yl]amino]ethyl-dimethylazanium is sourced from PubChem (CID 7719246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).