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

C17H26N3O+ — CID 4250011

IUPAC[6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium
SMILESCCN(CC)c1ccc2[nH]c(C)c(C[NH+](C)C)c(=O)c2c1
InChIInChI=1S/C17H25N3O/c1-6-20(7-2)13-8-9-16-14(10-13)17(21)15(11-19(4)5)12(3)18-16/h8-10H,6-7,11H2,1-5H3,(H,18,21)/p+1
InChIKeyPHZHACCOOLQSKV-UHFFFAOYSA-O
MW288.42 g/mol
LogP1.33
Rot. Bonds5

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

[6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium (PubChem CID 4250011) has the molecular formula C17H26N3O+ and a molecular weight of 288.42 g/mol. Its IUPAC name is [6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium.

Molecular Properties

Compound Name[6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium
PubChem CID4250011
Molecular FormulaC17H26N3O+
Molecular Weight288.42 g/mol
Exact Mass288.21
IUPAC Name[6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium
SMILESCCN(CC)c1ccc2[nH]c(C)c(C[NH+](C)C)c(=O)c2c1
InChIInChI=1S/C17H25N3O/c1-6-20(7-2)13-8-9-16-14(10-13)17(21)15(11-19(4)5)12(3)18-16/h8-10H,6-7,11H2,1-5H3,(H,18,21)/p+1
InChIKeyPHZHACCOOLQSKV-UHFFFAOYSA-O
XLogP1.33
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[6-(dimethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium
CID 4621806
dibutyl-[[6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl]azanium
CID 4250199
6-(diethylamino)-3-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-methyl-1H-quinolin-4-one
CID 4050752
(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-dipropylazanium
CID 3557128
dibutyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 4245000
3-bromo-6-(diethylamino)-1H-quinolin-4-one
CID 114759474
3-[[ethyl-[(6-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]amino]methyl]-6-methoxy-2-methyl-1H-quinolin-4-one
CID 608539
(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium
CID 3497343
6-(dimethylamino)-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one
CID 5216381
6-(diethylamino)-2-(trifluoromethyl)-1H-quinolin-4-one
CID 63180257
(6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-butyl-ethylazanium
CID 5076053
(2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-dimethylazanium
CID 3328598

Frequently Asked Questions

What is the IUPAC name of [6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium?
The IUPAC name of [6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium (CID 4250011) is [6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium.
What is the SMILES notation for [6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium?
The canonical SMILES for [6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium is CCN(CC)c1ccc2[nH]c(C)c(C[NH+](C)C)c(=O)c2c1.
What is the InChIKey of [6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium?
The InChIKey is PHZHACCOOLQSKV-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H25N3O/c1-6-20(7-2)13-8-9-16-14(10-13)17(21)15(11-19(4)5)12(3)18-16/h8-10H,6-7,11H2,1-5H3,(H,18,21)/p+1.
What are the key properties of [6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium?
[6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium has a molecular weight of 288.42 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium is sourced from PubChem (CID 4250011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).