(4-hydroxy-2-oxo-1H-quinolin-3-yl)methyl-dipropylazanium

C16H23N2O2+ — CID 54725203

IUPAC(4-hydroxy-2-oxo-1H-quinolin-3-yl)methyl-dipropylazanium
SMILESCCC[NH+](CCC)Cc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C16H22N2O2/c1-3-9-18(10-4-2)11-13-15(19)12-7-5-6-8-14(12)17-16(13)20/h5-8H,3-4,9-11H2,1-2H3,(H2,17,19,20)/p+1
InChIKeyXQRNKZJJTLDOPG-UHFFFAOYSA-O
MW275.37 g/mol
LogP1.44
Rot. Bonds6

About (4-hydroxy-2-oxo-1H-quinolin-3-yl)methyl-dipropylazanium

(4-hydroxy-2-oxo-1H-quinolin-3-yl)methyl-dipropylazanium (PubChem CID 54725203) has the molecular formula C16H23N2O2+ and a molecular weight of 275.37 g/mol. Its IUPAC name is (4-hydroxy-2-oxo-1H-quinolin-3-yl)methyl-dipropylazanium.

Molecular Properties

Compound Name(4-hydroxy-2-oxo-1H-quinolin-3-yl)methyl-dipropylazanium
PubChem CID54725203
Molecular FormulaC16H23N2O2+
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name(4-hydroxy-2-oxo-1H-quinolin-3-yl)methyl-dipropylazanium
SMILESCCC[NH+](CCC)Cc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C16H22N2O2/c1-3-9-18(10-4-2)11-13-15(19)12-7-5-6-8-14(12)17-16(13)20/h5-8H,3-4,9-11H2,1-2H3,(H2,17,19,20)/p+1
InChIKeyXQRNKZJJTLDOPG-UHFFFAOYSA-O
XLogP1.44
TPSA57.53 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dibutyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
CID 54706987
N-heptyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
CID 54693782
N-[(2S)-butan-2-yl]-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
CID 129394583
ethane;4-hydroxy-3-methyl-1H-quinolin-2-one
CID 142092755
N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)tridecanamide
CID 54678159
N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)hexadecanamide
CID 54704146
4-methyl-3-pentyl-1H-quinolin-2-one
CID 46708124
3-heptyl-4-methyl-1H-quinolin-2-one
CID 70126082
N-cyclohexyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
CID 54678206
4-hydroxy-3-propan-2-yl-1H-quinolin-2-one
CID 54684096
4-hydroxy-2-oxo-N'-undecanoyl-1H-quinoline-3-carbohydrazide
CID 54687081
4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 54697499

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2-oxo-1H-quinolin-3-yl)methyl-dipropylazanium?
The IUPAC name of (4-hydroxy-2-oxo-1H-quinolin-3-yl)methyl-dipropylazanium (CID 54725203) is (4-hydroxy-2-oxo-1H-quinolin-3-yl)methyl-dipropylazanium.
What is the SMILES notation for (4-hydroxy-2-oxo-1H-quinolin-3-yl)methyl-dipropylazanium?
The canonical SMILES for (4-hydroxy-2-oxo-1H-quinolin-3-yl)methyl-dipropylazanium is CCC[NH+](CCC)Cc1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of (4-hydroxy-2-oxo-1H-quinolin-3-yl)methyl-dipropylazanium?
The InChIKey is XQRNKZJJTLDOPG-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H22N2O2/c1-3-9-18(10-4-2)11-13-15(19)12-7-5-6-8-14(12)17-16(13)20/h5-8H,3-4,9-11H2,1-2H3,(H2,17,19,20)/p+1.
What are the key properties of (4-hydroxy-2-oxo-1H-quinolin-3-yl)methyl-dipropylazanium?
(4-hydroxy-2-oxo-1H-quinolin-3-yl)methyl-dipropylazanium has a molecular weight of 275.37 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2-oxo-1H-quinolin-3-yl)methyl-dipropylazanium is sourced from PubChem (CID 54725203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).