sodium;4-[2-(dimethylamino)ethylamino]-2-methylquinoline-6-carboxylic acid;hydroxide

C15H20N3NaO3 — CID 172712956

IUPACsodium;4-[2-(dimethylamino)ethylamino]-2-methylquinoline-6-carboxylic acid;hydroxide
SMILESCc1cc(NCCN(C)C)c2cc(C(=O)O)ccc2n1.[Na+].[OH-]
InChIInChI=1S/C15H19N3O2.Na.H2O/c1-10-8-14(16-6-7-18(2)3)12-9-11(15(19)20)4-5-13(12)17-10;;/h4-5,8-9H,6-7H2,1-3H3,(H,16,17)(H,19,20);;1H2/q;+1;/p-1
InChIKeyFMGCLTCYKWCGMC-UHFFFAOYSA-M
MW313.33 g/mol
LogP-0.96
Rot. Bonds5

About sodium;4-[2-(dimethylamino)ethylamino]-2-methylquinoline-6-carboxylic acid;hydroxide

sodium;4-[2-(dimethylamino)ethylamino]-2-methylquinoline-6-carboxylic acid;hydroxide (PubChem CID 172712956) has the molecular formula C15H20N3NaO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is sodium;4-[2-(dimethylamino)ethylamino]-2-methylquinoline-6-carboxylic acid;hydroxide.

Molecular Properties

Compound Namesodium;4-[2-(dimethylamino)ethylamino]-2-methylquinoline-6-carboxylic acid;hydroxide
PubChem CID172712956
Molecular FormulaC15H20N3NaO3
Molecular Weight313.33 g/mol
Exact Mass313.14
IUPAC Namesodium;4-[2-(dimethylamino)ethylamino]-2-methylquinoline-6-carboxylic acid;hydroxide
SMILESCc1cc(NCCN(C)C)c2cc(C(=O)O)ccc2n1.[Na+].[OH-]
InChIInChI=1S/C15H19N3O2.Na.H2O/c1-10-8-14(16-6-7-18(2)3)12-9-11(15(19)20)4-5-13(12)17-10;;/h4-5,8-9H,6-7H2,1-3H3,(H,16,17)(H,19,20);;1H2/q;+1;/p-1
InChIKeyFMGCLTCYKWCGMC-UHFFFAOYSA-M
XLogP-0.96
TPSA95.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxyethylamino)-2-methylquinoline-6-carboxylic acid
CID 7137915
N-(2,6-dimethylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;hydrochloride
CID 126476329
2-methyl-4-(2-pyridin-4-ylethylamino)quinoline-6-carboxylic acid
CID 7137912
4-[2-(dimethylamino)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81052116
4-(2,4-dimethylanilino)-2-methylquinoline-6-carboxylic acid
CID 7719183
4-[[4-(2-carboxyphenyl)phenyl]methylamino]-2-methylquinoline-6-carboxylic acid
CID 54071769
4-[4-(dimethylamino)anilino]-2-methylquinoline-7-carboxylic acid
CID 7138098
3-[(6-methoxycarbonyl-2-methylquinolin-4-yl)amino]benzoic acid
CID 730953
4-amino-2-methylquinoline-6-carboxylic acid;hydrochloride
CID 139269662
2-[(6-chloro-2-methylquinolin-4-yl)amino]ethanol
CID 155175469
N,N-bis[3-[(6-chloro-2-methylquinolin-4-yl)amino]propyl]methanesulfonamide
CID 58807209
2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]quinoline-6-carboxylic acid
CID 54345927

Frequently Asked Questions

What is the IUPAC name of sodium;4-[2-(dimethylamino)ethylamino]-2-methylquinoline-6-carboxylic acid;hydroxide?
The IUPAC name of sodium;4-[2-(dimethylamino)ethylamino]-2-methylquinoline-6-carboxylic acid;hydroxide (CID 172712956) is sodium;4-[2-(dimethylamino)ethylamino]-2-methylquinoline-6-carboxylic acid;hydroxide.
What is the SMILES notation for sodium;4-[2-(dimethylamino)ethylamino]-2-methylquinoline-6-carboxylic acid;hydroxide?
The canonical SMILES for sodium;4-[2-(dimethylamino)ethylamino]-2-methylquinoline-6-carboxylic acid;hydroxide is Cc1cc(NCCN(C)C)c2cc(C(=O)O)ccc2n1.[Na+].[OH-].
What is the InChIKey of sodium;4-[2-(dimethylamino)ethylamino]-2-methylquinoline-6-carboxylic acid;hydroxide?
The InChIKey is FMGCLTCYKWCGMC-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H19N3O2.Na.H2O/c1-10-8-14(16-6-7-18(2)3)12-9-11(15(19)20)4-5-13(12)17-10;;/h4-5,8-9H,6-7H2,1-3H3,(H,16,17)(H,19,20);;1H2/q;+1;/p-1.
What are the key properties of sodium;4-[2-(dimethylamino)ethylamino]-2-methylquinoline-6-carboxylic acid;hydroxide?
sodium;4-[2-(dimethylamino)ethylamino]-2-methylquinoline-6-carboxylic acid;hydroxide has a molecular weight of 313.33 g/mol, XLogP of -0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-[2-(dimethylamino)ethylamino]-2-methylquinoline-6-carboxylic acid;hydroxide is sourced from PubChem (CID 172712956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).