3-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]propyl-dimethylazanium

C17H24N3O5+ — CID 54675903

IUPAC3-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]propyl-dimethylazanium
SMILESCOc1cc2[nH]c(=O)c(C(=O)NCCC[NH+](C)C)c(O)c2cc1OC
InChIInChI=1S/C17H23N3O5/c1-20(2)7-5-6-18-16(22)14-15(21)10-8-12(24-3)13(25-4)9-11(10)19-17(14)23/h8-9H,5-7H2,1-4H3,(H,18,22)(H2,19,21,23)/p+1
InChIKeyMYKBNHGMAHPDPY-UHFFFAOYSA-O
MW350.40 g/mol
LogP-0.48
Rot. Bonds7

About 3-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]propyl-dimethylazanium

3-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]propyl-dimethylazanium (PubChem CID 54675903) has the molecular formula C17H24N3O5+ and a molecular weight of 350.40 g/mol. Its IUPAC name is 3-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]propyl-dimethylazanium.

Molecular Properties

Compound Name3-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]propyl-dimethylazanium
PubChem CID54675903
Molecular FormulaC17H24N3O5+
Molecular Weight350.40 g/mol
Exact Mass350.17
IUPAC Name3-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]propyl-dimethylazanium
SMILESCOc1cc2[nH]c(=O)c(C(=O)NCCC[NH+](C)C)c(O)c2cc1OC
InChIInChI=1S/C17H23N3O5/c1-20(2)7-5-6-18-16(22)14-15(21)10-8-12(24-3)13(25-4)9-11(10)19-17(14)23/h8-9H,5-7H2,1-4H3,(H,18,22)(H2,19,21,23)/p+1
InChIKeyMYKBNHGMAHPDPY-UHFFFAOYSA-O
XLogP-0.48
TPSA105.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]propyl-dimethylazanium with MolForge

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Related Compounds

4-hydroxy-N-(3-hydroxypropyl)-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide
CID 54682415
butyl-[2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]ethyl]-methylazanium
CID 54675917
N-[3-(diethylamino)propyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 54733002
4-hydroxy-6,7-dimethoxy-2-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide
CID 54675898
N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide
CID 54682420
N-[(2-fluorophenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide
CID 54703015
dimethyl-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]azanium
CID 2315963
prop-2-enyl 4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylate
CID 54732863
butyl 4-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate
CID 54682431
2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carbonyl)amino]ethyl-dimethylazanium
CID 54693303
N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54677806
(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-methyl-propylsulfanium
CID 139820562

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]propyl-dimethylazanium?
The IUPAC name of 3-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]propyl-dimethylazanium (CID 54675903) is 3-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]propyl-dimethylazanium.
What is the SMILES notation for 3-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]propyl-dimethylazanium?
The canonical SMILES for 3-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]propyl-dimethylazanium is COc1cc2[nH]c(=O)c(C(=O)NCCC[NH+](C)C)c(O)c2cc1OC.
What is the InChIKey of 3-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]propyl-dimethylazanium?
The InChIKey is MYKBNHGMAHPDPY-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H23N3O5/c1-20(2)7-5-6-18-16(22)14-15(21)10-8-12(24-3)13(25-4)9-11(10)19-17(14)23/h8-9H,5-7H2,1-4H3,(H,18,22)(H2,19,21,23)/p+1.
What are the key properties of 3-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]propyl-dimethylazanium?
3-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]propyl-dimethylazanium has a molecular weight of 350.40 g/mol, XLogP of -0.48, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]propyl-dimethylazanium is sourced from PubChem (CID 54675903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).