2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carbonyl)amino]ethyl-dimethylazanium

C19H26N3O5+ — CID 54693303

IUPAC2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carbonyl)amino]ethyl-dimethylazanium
SMILESC=CCn1c(=O)c(C(=O)NCC[NH+](C)C)c(O)c2cc(OC)c(OC)cc21
InChIInChI=1S/C19H25N3O5/c1-6-8-22-13-11-15(27-5)14(26-4)10-12(13)17(23)16(19(22)25)18(24)20-7-9-21(2)3/h6,10-11,23H,1,7-9H2,2-5H3,(H,20,24)/p+1
InChIKeyMLPOPNJXTRZFDU-UHFFFAOYSA-O
MW376.43 g/mol
LogP-0.22
Rot. Bonds8

About 2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carbonyl)amino]ethyl-dimethylazanium

2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carbonyl)amino]ethyl-dimethylazanium (PubChem CID 54693303) has the molecular formula C19H26N3O5+ and a molecular weight of 376.43 g/mol. Its IUPAC name is 2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carbonyl)amino]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carbonyl)amino]ethyl-dimethylazanium
PubChem CID54693303
Molecular FormulaC19H26N3O5+
Molecular Weight376.43 g/mol
Exact Mass376.19
IUPAC Name2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carbonyl)amino]ethyl-dimethylazanium
SMILESC=CCn1c(=O)c(C(=O)NCC[NH+](C)C)c(O)c2cc(OC)c(OC)cc21
InChIInChI=1S/C19H25N3O5/c1-6-8-22-13-11-15(27-5)14(26-4)10-12(13)17(23)16(19(22)25)18(24)20-7-9-21(2)3/h6,10-11,23H,1,7-9H2,2-5H3,(H,20,24)/p+1
InChIKeyMLPOPNJXTRZFDU-UHFFFAOYSA-O
XLogP-0.22
TPSA94.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carbonyl)amino]ethyl-dimethylazanium?
The IUPAC name of 2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carbonyl)amino]ethyl-dimethylazanium (CID 54693303) is 2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carbonyl)amino]ethyl-dimethylazanium.
What is the SMILES notation for 2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carbonyl)amino]ethyl-dimethylazanium?
The canonical SMILES for 2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carbonyl)amino]ethyl-dimethylazanium is C=CCn1c(=O)c(C(=O)NCC[NH+](C)C)c(O)c2cc(OC)c(OC)cc21.
What is the InChIKey of 2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carbonyl)amino]ethyl-dimethylazanium?
The InChIKey is MLPOPNJXTRZFDU-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H25N3O5/c1-6-8-22-13-11-15(27-5)14(26-4)10-12(13)17(23)16(19(22)25)18(24)20-7-9-21(2)3/h6,10-11,23H,1,7-9H2,2-5H3,(H,20,24)/p+1.
What are the key properties of 2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carbonyl)amino]ethyl-dimethylazanium?
2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carbonyl)amino]ethyl-dimethylazanium has a molecular weight of 376.43 g/mol, XLogP of -0.22, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carbonyl)amino]ethyl-dimethylazanium is sourced from PubChem (CID 54693303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).