(6,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium

C19H25N2O3+ — CID 4247001

IUPAC(6,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium
SMILESC=CC[NH+](CC=C)Cc1c(C)[nH]c2c(OC)cc(OC)cc2c1=O
InChIInChI=1S/C19H24N2O3/c1-6-8-21(9-7-2)12-16-13(3)20-18-15(19(16)22)10-14(23-4)11-17(18)24-5/h6-7,10-11H,1-2,8-9,12H2,3-5H3,(H,20,22)/p+1
InChIKeyUUUMPRLLAAVINK-UHFFFAOYSA-O
MW329.42 g/mol
LogP1.61
Rot. Bonds8

About (6,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium

(6,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium (PubChem CID 4247001) has the molecular formula C19H25N2O3+ and a molecular weight of 329.42 g/mol. Its IUPAC name is (6,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Name(6,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium
PubChem CID4247001
Molecular FormulaC19H25N2O3+
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name(6,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium
SMILESC=CC[NH+](CC=C)Cc1c(C)[nH]c2c(OC)cc(OC)cc2c1=O
InChIInChI=1S/C19H24N2O3/c1-6-8-21(9-7-2)12-16-13(3)20-18-15(19(16)22)10-14(23-4)11-17(18)24-5/h6-7,10-11H,1-2,8-9,12H2,3-5H3,(H,20,22)/p+1
InChIKeyUUUMPRLLAAVINK-UHFFFAOYSA-O
XLogP1.61
TPSA55.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium
CID 4536866
6,8-dimethoxy-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one
CID 7212656
3-ethyl-6-methoxy-2,8-dimethyl-1H-quinolin-4-one
CID 62873195
6,8-dimethoxy-2-methyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinolin-4-one
CID 3340738
2-[(2,4-dimethoxyphenyl)methyl-prop-2-enylazaniumyl]acetate
CID 39364529
(5-chloro-8-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(2-methylpropyl)azanium
CID 4531560
1,5-dimethoxy-3-methyl-2-prop-2-enylbenzene
CID 55275341
6,8-dimethoxy-4-(trifluoromethyl)-1H-quinolin-2-one
CID 2794452
6,8-dimethoxy-4-oxo-1H-quinoline-2-carbonitrile
CID 11746430
6,8-dimethoxy-3-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 114588841
5-methoxy-2-methyl-3-prop-2-enyl-1H-indole
CID 156558108
dibenzyl-[(2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 3622129

Frequently Asked Questions

What is the IUPAC name of (6,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium?
The IUPAC name of (6,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium (CID 4247001) is (6,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium.
What is the SMILES notation for (6,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium?
The canonical SMILES for (6,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium is C=CC[NH+](CC=C)Cc1c(C)[nH]c2c(OC)cc(OC)cc2c1=O.
What is the InChIKey of (6,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium?
The InChIKey is UUUMPRLLAAVINK-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N2O3/c1-6-8-21(9-7-2)12-16-13(3)20-18-15(19(16)22)10-14(23-4)11-17(18)24-5/h6-7,10-11H,1-2,8-9,12H2,3-5H3,(H,20,22)/p+1.
What are the key properties of (6,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium?
(6,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium has a molecular weight of 329.42 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium is sourced from PubChem (CID 4247001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).