(2,6-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium

C18H23N2O+ — CID 4536866

IUPAC(2,6-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium
SMILESC=CC[NH+](CC=C)Cc1c(C)[nH]c2ccc(C)cc2c1=O
InChIInChI=1S/C18H22N2O/c1-5-9-20(10-6-2)12-16-14(4)19-17-8-7-13(3)11-15(17)18(16)21/h5-8,11H,1-2,9-10,12H2,3-4H3,(H,19,21)/p+1
InChIKeyJLBPYZJHOGOEIF-UHFFFAOYSA-O
MW283.40 g/mol
LogP1.90
Rot. Bonds6

About (2,6-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium

(2,6-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium (PubChem CID 4536866) has the molecular formula C18H23N2O+ and a molecular weight of 283.40 g/mol. Its IUPAC name is (2,6-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Name(2,6-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium
PubChem CID4536866
Molecular FormulaC18H23N2O+
Molecular Weight283.40 g/mol
Exact Mass283.18
IUPAC Name(2,6-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium
SMILESC=CC[NH+](CC=C)Cc1c(C)[nH]c2ccc(C)cc2c1=O
InChIInChI=1S/C18H22N2O/c1-5-9-20(10-6-2)12-16-14(4)19-17-8-7-13(3)11-15(17)18(16)21/h5-8,11H,1-2,9-10,12H2,3-4H3,(H,19,21)/p+1
InChIKeyJLBPYZJHOGOEIF-UHFFFAOYSA-O
XLogP1.90
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(3,3-dichloroprop-2-enyl)-2,6-dimethyl-1H-quinolin-4-one
CID 914861
(6,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium
CID 4247001
(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-dipropylazanium
CID 3557128
(6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-butyl-ethylazanium
CID 5076053
2,7-dimethyl-10H-acridin-9-one
CID 13293445
3-[[bis(2-methylpropyl)amino]methyl]-2,6-dimethyl-1H-quinolin-4-one
CID 728856
dibutyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 4245000
butyl-ethyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 3627893
[6-(dimethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium
CID 4621806
2,8-dimethyl-5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione
CID 24764365
(6-butoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-butyl-ethylazanium
CID 3433637
dibutyl-[[6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl]azanium
CID 4250199

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium?
The IUPAC name of (2,6-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium (CID 4536866) is (2,6-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium.
What is the SMILES notation for (2,6-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium?
The canonical SMILES for (2,6-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium is C=CC[NH+](CC=C)Cc1c(C)[nH]c2ccc(C)cc2c1=O.
What is the InChIKey of (2,6-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium?
The InChIKey is JLBPYZJHOGOEIF-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H22N2O/c1-5-9-20(10-6-2)12-16-14(4)19-17-8-7-13(3)11-15(17)18(16)21/h5-8,11H,1-2,9-10,12H2,3-4H3,(H,19,21)/p+1.
What are the key properties of (2,6-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium?
(2,6-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium has a molecular weight of 283.40 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium is sourced from PubChem (CID 4536866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).