dibutyl-[[6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl]azanium

C23H38N3O+ — CID 4250199

IUPACdibutyl-[[6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl]azanium
SMILESCCCC[NH+](CCCC)Cc1c(C)[nH]c2ccc(N(CC)CC)cc2c1=O
InChIInChI=1S/C23H37N3O/c1-6-10-14-25(15-11-7-2)17-21-18(5)24-22-13-12-19(26(8-3)9-4)16-20(22)23(21)27/h12-13,16H,6-11,14-15,17H2,1-5H3,(H,24,27)/p+1
InChIKeyLIVFGNQAONIFRO-UHFFFAOYSA-O
MW372.58 g/mol
LogP3.67
Rot. Bonds11

About dibutyl-[[6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl]azanium

dibutyl-[[6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl]azanium (PubChem CID 4250199) has the molecular formula C23H38N3O+ and a molecular weight of 372.58 g/mol. Its IUPAC name is dibutyl-[[6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl]azanium.

Molecular Properties

Compound Namedibutyl-[[6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl]azanium
PubChem CID4250199
Molecular FormulaC23H38N3O+
Molecular Weight372.58 g/mol
Exact Mass372.30
IUPAC Namedibutyl-[[6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl]azanium
SMILESCCCC[NH+](CCCC)Cc1c(C)[nH]c2ccc(N(CC)CC)cc2c1=O
InChIInChI=1S/C23H37N3O/c1-6-10-14-25(15-11-7-2)17-21-18(5)24-22-13-12-19(26(8-3)9-4)16-20(22)23(21)27/h12-13,16H,6-11,14-15,17H2,1-5H3,(H,24,27)/p+1
InChIKeyLIVFGNQAONIFRO-UHFFFAOYSA-O
XLogP3.67
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dibutyl-[[6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl]azanium?
The IUPAC name of dibutyl-[[6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl]azanium (CID 4250199) is dibutyl-[[6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl]azanium.
What is the SMILES notation for dibutyl-[[6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl]azanium?
The canonical SMILES for dibutyl-[[6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl]azanium is CCCC[NH+](CCCC)Cc1c(C)[nH]c2ccc(N(CC)CC)cc2c1=O.
What is the InChIKey of dibutyl-[[6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl]azanium?
The InChIKey is LIVFGNQAONIFRO-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H37N3O/c1-6-10-14-25(15-11-7-2)17-21-18(5)24-22-13-12-19(26(8-3)9-4)16-20(22)23(21)27/h12-13,16H,6-11,14-15,17H2,1-5H3,(H,24,27)/p+1.
What are the key properties of dibutyl-[[6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl]azanium?
dibutyl-[[6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl]azanium has a molecular weight of 372.58 g/mol, XLogP of 3.67, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-[[6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl]azanium is sourced from PubChem (CID 4250199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).