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

C15H22N3O+ — CID 4621806

IUPAC[6-(dimethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium
SMILESCc1[nH]c2ccc(N(C)C)cc2c(=O)c1C[NH+](C)C
InChIInChI=1S/C15H21N3O/c1-10-13(9-17(2)3)15(19)12-8-11(18(4)5)6-7-14(12)16-10/h6-8H,9H2,1-5H3,(H,16,19)/p+1
InChIKeyIQCHPJVHDROZJZ-UHFFFAOYSA-O
MW260.36 g/mol
LogP0.55
Rot. Bonds3

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

[6-(dimethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium (PubChem CID 4621806) has the molecular formula C15H22N3O+ and a molecular weight of 260.36 g/mol. Its IUPAC name is [6-(dimethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium.

Molecular Properties

Compound Name[6-(dimethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium
PubChem CID4621806
Molecular FormulaC15H22N3O+
Molecular Weight260.36 g/mol
Exact Mass260.18
IUPAC Name[6-(dimethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium
SMILESCc1[nH]c2ccc(N(C)C)cc2c(=O)c1C[NH+](C)C
InChIInChI=1S/C15H21N3O/c1-10-13(9-17(2)3)15(19)12-8-11(18(4)5)6-7-14(12)16-10/h6-8H,9H2,1-5H3,(H,16,19)/p+1
InChIKeyIQCHPJVHDROZJZ-UHFFFAOYSA-O
XLogP0.55
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium
CID 4250011
6-(dimethylamino)-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one
CID 5216381
6-(dimethylamino)-2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one
CID 4550810
6-(dimethylamino)-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one
CID 7212957
dibutyl-[[6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl]azanium
CID 4250199
6-(dimethylamino)-2-methyl-3-[(1,3,3-trimethyl-6-azoniabicyclo[3.2.1]octan-6-yl)methyl]-1H-quinolin-4-one
CID 3391700
(2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-dimethylazanium
CID 3328598
(2,6-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium
CID 4536866
(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-dipropylazanium
CID 3557128
(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium
CID 3497343
ethyl 5-(dimethylamino)-2-methyl-1H-indole-3-carboxylate
CID 12537598
[6-(dimethylamino)-2-ethoxycarbonyl-4-oxo-1H-quinolin-3-yl]methyl-[(3S)-1,1-dioxothiolan-3-yl]-methylazanium
CID 7576494

Frequently Asked Questions

What is the IUPAC name of [6-(dimethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium?
The IUPAC name of [6-(dimethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium (CID 4621806) is [6-(dimethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium.
What is the SMILES notation for [6-(dimethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium?
The canonical SMILES for [6-(dimethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium is Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1C[NH+](C)C.
What is the InChIKey of [6-(dimethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium?
The InChIKey is IQCHPJVHDROZJZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H21N3O/c1-10-13(9-17(2)3)15(19)12-8-11(18(4)5)6-7-14(12)16-10/h6-8H,9H2,1-5H3,(H,16,19)/p+1.
What are the key properties of [6-(dimethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium?
[6-(dimethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium has a molecular weight of 260.36 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium is sourced from PubChem (CID 4621806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).