[1-methyl-4-[3-(1-methylquinolin-4-ylidene)prop-1-enyl]quinolin-1-ium-3-yl]methanol

C24H23N2O+ — CID 174145762

IUPAC[1-methyl-4-[3-(1-methylquinolin-4-ylidene)prop-1-enyl]quinolin-1-ium-3-yl]methanol
SMILESCN1C=CC(=CC=Cc2c(CO)c[n+](C)c3ccccc23)c2ccccc21
InChIInChI=1S/C24H23N2O/c1-25-15-14-18(21-9-3-5-12-23(21)25)8-7-11-20-19(17-27)16-26(2)24-13-6-4-10-22(20)24/h3-16,27H,17H2,1-2H3/q+1
InChIKeyLQERDKWVNHFWEP-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.22
Rot. Bonds3

About [1-methyl-4-[3-(1-methylquinolin-4-ylidene)prop-1-enyl]quinolin-1-ium-3-yl]methanol

[1-methyl-4-[3-(1-methylquinolin-4-ylidene)prop-1-enyl]quinolin-1-ium-3-yl]methanol (PubChem CID 174145762) has the molecular formula C24H23N2O+ and a molecular weight of 355.46 g/mol. Its IUPAC name is [1-methyl-4-[3-(1-methylquinolin-4-ylidene)prop-1-enyl]quinolin-1-ium-3-yl]methanol.

Molecular Properties

Compound Name[1-methyl-4-[3-(1-methylquinolin-4-ylidene)prop-1-enyl]quinolin-1-ium-3-yl]methanol
PubChem CID174145762
Molecular FormulaC24H23N2O+
Molecular Weight355.46 g/mol
Exact Mass355.18
IUPAC Name[1-methyl-4-[3-(1-methylquinolin-4-ylidene)prop-1-enyl]quinolin-1-ium-3-yl]methanol
SMILESCN1C=CC(=CC=Cc2c(CO)c[n+](C)c3ccccc23)c2ccccc21
InChIInChI=1S/C24H23N2O/c1-25-15-14-18(21-9-3-5-12-23(21)25)8-7-11-20-19(17-27)16-26(2)24-13-6-4-10-22(20)24/h3-16,27H,17H2,1-2H3/q+1
InChIKeyLQERDKWVNHFWEP-UHFFFAOYSA-N
XLogP4.22
TPSA27.35 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [1-methyl-4-[3-(1-methylquinolin-4-ylidene)prop-1-enyl]quinolin-1-ium-3-yl]methanol with MolForge

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Launch Full Analysis

Related Compounds

(4Z)-1-methyl-4-[(E)-3-(1-methylquinolin-1-ium-4-yl)prop-2-enylidene]quinoline chloride
CID 54603222
(4Z)-1-methyl-4-[(2E,4E,6E)-7-(1-methylquinolin-1-ium-4-yl)hepta-2,4,6-trienylidene]quinoline
CID 20641135
(4E)-1-methyl-4-[(2E)-2-[3-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]-2-phenylcyclopent-2-en-1-ylidene]ethylidene]quinoline iodide
CID 44669393
(4Z)-4-[(2E)-2-[2-chloro-3-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-methylquinoline
CID 171517560
(4E)-4-[(2E)-5,5-bis(trifluoromethylsulfonyl)penta-2,4-dienylidene]-1-methylquinoline
CID 87847399
2-[(4Z)-4-[(E)-but-2-enylidene]quinolin-1-yl]ethanol
CID 171517553
4-[(1-methylquinolin-1-ium-4-yl)methylidene]-2-[(1-methylquinolin-4-ylidene)methyl]-3-oxocyclobuten-1-olate
CID 59171305
(4Z)-1-ethyl-4-[(E)-3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]quinoline iodide
CID 6432453
N-[2-[2-(1-methylquinolin-1-ium-4-yl)ethenyl]-5-[2-(1-methylquinolin-4-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline hexafluorophosphate
CID 159192362
4-[2-(1-methylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
CID 101385220
2-[(4Z)-4-[(2E,4E,6E)-7-[1-(2-hydroxyethyl)quinolin-1-ium-4-yl]hepta-2,4,6-trienylidene]quinolin-1-yl]ethanol;methyl hypochlorite
CID 171517562
1-(2-ethoxyethyl)-4-[3-(1-ethylquinolin-4-ylidene)prop-1-enyl]quinolin-1-ium
CID 174145759

Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-[3-(1-methylquinolin-4-ylidene)prop-1-enyl]quinolin-1-ium-3-yl]methanol?
The IUPAC name of [1-methyl-4-[3-(1-methylquinolin-4-ylidene)prop-1-enyl]quinolin-1-ium-3-yl]methanol (CID 174145762) is [1-methyl-4-[3-(1-methylquinolin-4-ylidene)prop-1-enyl]quinolin-1-ium-3-yl]methanol.
What is the SMILES notation for [1-methyl-4-[3-(1-methylquinolin-4-ylidene)prop-1-enyl]quinolin-1-ium-3-yl]methanol?
The canonical SMILES for [1-methyl-4-[3-(1-methylquinolin-4-ylidene)prop-1-enyl]quinolin-1-ium-3-yl]methanol is CN1C=CC(=CC=Cc2c(CO)c[n+](C)c3ccccc23)c2ccccc21.
What is the InChIKey of [1-methyl-4-[3-(1-methylquinolin-4-ylidene)prop-1-enyl]quinolin-1-ium-3-yl]methanol?
The InChIKey is LQERDKWVNHFWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N2O/c1-25-15-14-18(21-9-3-5-12-23(21)25)8-7-11-20-19(17-27)16-26(2)24-13-6-4-10-22(20)24/h3-16,27H,17H2,1-2H3/q+1.
What are the key properties of [1-methyl-4-[3-(1-methylquinolin-4-ylidene)prop-1-enyl]quinolin-1-ium-3-yl]methanol?
[1-methyl-4-[3-(1-methylquinolin-4-ylidene)prop-1-enyl]quinolin-1-ium-3-yl]methanol has a molecular weight of 355.46 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-[3-(1-methylquinolin-4-ylidene)prop-1-enyl]quinolin-1-ium-3-yl]methanol is sourced from PubChem (CID 174145762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).