(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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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).