(2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-dimethylazanium

C14H19N2O+ — CID 3328598

IUPAC(2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-dimethylazanium
SMILESCc1[nH]c2c(C)cccc2c(=O)c1C[NH+](C)C
InChIInChI=1S/C14H18N2O/c1-9-6-5-7-11-13(9)15-10(2)12(14(11)17)8-16(3)4/h5-7H,8H2,1-4H3,(H,15,17)/p+1
InChIKeyUKKVNKUSVHYXTG-UHFFFAOYSA-O
MW231.32 g/mol
LogP0.79
Rot. Bonds2

About (2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-dimethylazanium

(2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-dimethylazanium (PubChem CID 3328598) has the molecular formula C14H19N2O+ and a molecular weight of 231.32 g/mol. Its IUPAC name is (2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-dimethylazanium.

Molecular Properties

Compound Name(2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-dimethylazanium
PubChem CID3328598
Molecular FormulaC14H19N2O+
Molecular Weight231.32 g/mol
Exact Mass231.15
IUPAC Name(2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-dimethylazanium
SMILESCc1[nH]c2c(C)cccc2c(=O)c1C[NH+](C)C
InChIInChI=1S/C14H18N2O/c1-9-6-5-7-11-13(9)15-10(2)12(14(11)17)8-16(3)4/h5-7H,8H2,1-4H3,(H,15,17)/p+1
InChIKeyUKKVNKUSVHYXTG-UHFFFAOYSA-O
XLogP0.79
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

dibenzyl-[(2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 3622129
2,8-dimethyl-3-[(4-methylanilino)methyl]-1H-quinolin-4-one
CID 99977848
[6-(dimethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium
CID 4621806
2-(8-hydroxy-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid
CID 84696464
N-[(2,7-dimethyl-1H-indol-3-yl)methyl]ethanamine
CID 65335557
cyclohexyl-methyl-[(2,7,8-trimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 3300019
2,8-dimethyl-3-[3-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methylamino]butyl]-1H-quinolin-4-one
CID 137210284
3-(2-isocyanoethyl)-2,7-dimethyl-1H-indole
CID 83485119
6-methyl-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione
CID 18937674
[6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium
CID 4250011
N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82494841
1-(2,7-dimethyl-1H-indol-3-yl)butan-2-amine
CID 130005740

Frequently Asked Questions

What is the IUPAC name of (2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-dimethylazanium?
The IUPAC name of (2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-dimethylazanium (CID 3328598) is (2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-dimethylazanium.
What is the SMILES notation for (2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-dimethylazanium?
The canonical SMILES for (2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-dimethylazanium is Cc1[nH]c2c(C)cccc2c(=O)c1C[NH+](C)C.
What is the InChIKey of (2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-dimethylazanium?
The InChIKey is UKKVNKUSVHYXTG-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H18N2O/c1-9-6-5-7-11-13(9)15-10(2)12(14(11)17)8-16(3)4/h5-7H,8H2,1-4H3,(H,15,17)/p+1.
What are the key properties of (2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-dimethylazanium?
(2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-dimethylazanium has a molecular weight of 231.32 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-dimethylazanium is sourced from PubChem (CID 3328598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).