butyl-ethyl-[(6-methoxycarbonyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium

C19H27N2O3+ — CID 5014178

IUPACbutyl-ethyl-[(6-methoxycarbonyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
SMILESCCCC[NH+](CC)Cc1c(C)[nH]c2ccc(C(=O)OC)cc2c1=O
InChIInChI=1S/C19H26N2O3/c1-5-7-10-21(6-2)12-16-13(3)20-17-9-8-14(19(23)24-4)11-15(17)18(16)22/h8-9,11H,5-7,10,12H2,1-4H3,(H,20,22)/p+1
InChIKeyBTIAOWLIJRQCHG-UHFFFAOYSA-O
MW331.44 g/mol
LogP1.83
Rot. Bonds7

About butyl-ethyl-[(6-methoxycarbonyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium

butyl-ethyl-[(6-methoxycarbonyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium (PubChem CID 5014178) has the molecular formula C19H27N2O3+ and a molecular weight of 331.44 g/mol. Its IUPAC name is butyl-ethyl-[(6-methoxycarbonyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium.

Molecular Properties

Compound Namebutyl-ethyl-[(6-methoxycarbonyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
PubChem CID5014178
Molecular FormulaC19H27N2O3+
Molecular Weight331.44 g/mol
Exact Mass331.20
IUPAC Namebutyl-ethyl-[(6-methoxycarbonyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
SMILESCCCC[NH+](CC)Cc1c(C)[nH]c2ccc(C(=O)OC)cc2c1=O
InChIInChI=1S/C19H26N2O3/c1-5-7-10-21(6-2)12-16-13(3)20-17-9-8-14(19(23)24-4)11-15(17)18(16)22/h8-9,11H,5-7,10,12H2,1-4H3,(H,20,22)/p+1
InChIKeyBTIAOWLIJRQCHG-UHFFFAOYSA-O
XLogP1.83
TPSA63.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze butyl-ethyl-[(6-methoxycarbonyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium with MolForge

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Related Compounds

dibutyl-[(6-methoxycarbonyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 6995828
(6-butoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-butyl-ethylazanium
CID 3433637
(6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-butyl-ethylazanium
CID 5076053
butyl-ethyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 3627893
methyl 3-(diethylaminomethyl)-2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 730971
dibutyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 4245000
ethyl 3-ethyl-2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 927791
methyl 2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate
CID 730962
methyl 2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate
CID 4605637
methyl 2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate
CID 730968
methyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 11344717
(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-dipropylazanium
CID 3557128

Frequently Asked Questions

What is the IUPAC name of butyl-ethyl-[(6-methoxycarbonyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium?
The IUPAC name of butyl-ethyl-[(6-methoxycarbonyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium (CID 5014178) is butyl-ethyl-[(6-methoxycarbonyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium.
What is the SMILES notation for butyl-ethyl-[(6-methoxycarbonyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium?
The canonical SMILES for butyl-ethyl-[(6-methoxycarbonyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium is CCCC[NH+](CC)Cc1c(C)[nH]c2ccc(C(=O)OC)cc2c1=O.
What is the InChIKey of butyl-ethyl-[(6-methoxycarbonyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium?
The InChIKey is BTIAOWLIJRQCHG-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H26N2O3/c1-5-7-10-21(6-2)12-16-13(3)20-17-9-8-14(19(23)24-4)11-15(17)18(16)22/h8-9,11H,5-7,10,12H2,1-4H3,(H,20,22)/p+1.
What are the key properties of butyl-ethyl-[(6-methoxycarbonyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium?
butyl-ethyl-[(6-methoxycarbonyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium has a molecular weight of 331.44 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-ethyl-[(6-methoxycarbonyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium is sourced from PubChem (CID 5014178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).