butyl-[2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]ethyl]-methylazanium

C19H28N3O5+ — CID 54675917

IUPACbutyl-[2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]ethyl]-methylazanium
SMILESCCCC[NH+](C)CCNC(=O)c1c(O)c2cc(OC)c(OC)cc2[nH]c1=O
InChIInChI=1S/C19H27N3O5/c1-5-6-8-22(2)9-7-20-18(24)16-17(23)12-10-14(26-3)15(27-4)11-13(12)21-19(16)25/h10-11H,5-9H2,1-4H3,(H,20,24)(H2,21,23,25)/p+1
InChIKeyYMDUUIPZRZEUOB-UHFFFAOYSA-O
MW378.45 g/mol
LogP0.30
Rot. Bonds9

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

butyl-[2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]ethyl]-methylazanium (PubChem CID 54675917) has the molecular formula C19H28N3O5+ and a molecular weight of 378.45 g/mol. Its IUPAC name is butyl-[2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]ethyl]-methylazanium.

Molecular Properties

Compound Namebutyl-[2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]ethyl]-methylazanium
PubChem CID54675917
Molecular FormulaC19H28N3O5+
Molecular Weight378.45 g/mol
Exact Mass378.20
IUPAC Namebutyl-[2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]ethyl]-methylazanium
SMILESCCCC[NH+](C)CCNC(=O)c1c(O)c2cc(OC)c(OC)cc2[nH]c1=O
InChIInChI=1S/C19H27N3O5/c1-5-6-8-22(2)9-7-20-18(24)16-17(23)12-10-14(26-3)15(27-4)11-13(12)21-19(16)25/h10-11H,5-9H2,1-4H3,(H,20,24)(H2,21,23,25)/p+1
InChIKeyYMDUUIPZRZEUOB-UHFFFAOYSA-O
XLogP0.30
TPSA105.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 50.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of butyl-[2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]ethyl]-methylazanium?
The IUPAC name of butyl-[2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]ethyl]-methylazanium (CID 54675917) is butyl-[2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]ethyl]-methylazanium.
What is the SMILES notation for butyl-[2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]ethyl]-methylazanium?
The canonical SMILES for butyl-[2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]ethyl]-methylazanium is CCCC[NH+](C)CCNC(=O)c1c(O)c2cc(OC)c(OC)cc2[nH]c1=O.
What is the InChIKey of butyl-[2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]ethyl]-methylazanium?
The InChIKey is YMDUUIPZRZEUOB-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H27N3O5/c1-5-6-8-22(2)9-7-20-18(24)16-17(23)12-10-14(26-3)15(27-4)11-13(12)21-19(16)25/h10-11H,5-9H2,1-4H3,(H,20,24)(H2,21,23,25)/p+1.
What are the key properties of butyl-[2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]ethyl]-methylazanium?
butyl-[2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]ethyl]-methylazanium has a molecular weight of 378.45 g/mol, XLogP of 0.30, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]ethyl]-methylazanium is sourced from PubChem (CID 54675917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).