2,4-diethoxy-1-methylquinolin-1-ium

C14H18NO2+ — CID 10158034

IUPAC2,4-diethoxy-1-methylquinolin-1-ium
SMILESCCOc1cc(OCC)[n+](C)c2ccccc12
InChIInChI=1S/C14H18NO2/c1-4-16-13-10-14(17-5-2)15(3)12-9-7-6-8-11(12)13/h6-10H,4-5H2,1-3H3/q+1
InChIKeyZXHRURPXJWIBLS-UHFFFAOYSA-N
MW232.30 g/mol
LogP2.46
Rot. Bonds4

About 2,4-diethoxy-1-methylquinolin-1-ium

2,4-diethoxy-1-methylquinolin-1-ium (PubChem CID 10158034) has the molecular formula C14H18NO2+ and a molecular weight of 232.30 g/mol. Its IUPAC name is 2,4-diethoxy-1-methylquinolin-1-ium.

Molecular Properties

Compound Name2,4-diethoxy-1-methylquinolin-1-ium
PubChem CID10158034
Molecular FormulaC14H18NO2+
Molecular Weight232.30 g/mol
Exact Mass232.13
IUPAC Name2,4-diethoxy-1-methylquinolin-1-ium
SMILESCCOc1cc(OCC)[n+](C)c2ccccc12
InChIInChI=1S/C14H18NO2/c1-4-16-13-10-14(17-5-2)15(3)12-9-7-6-8-11(12)13/h6-10H,4-5H2,1-3H3/q+1
InChIKeyZXHRURPXJWIBLS-UHFFFAOYSA-N
XLogP2.46
TPSA22.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 52.46
H-Bond Donors ≤ 50
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 2,4-diethoxy-1-methylquinolin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-8-ethoxy-9-methoxy-5-methylcyclohepta[b]indol-5-ium
CID 139809983
4-ethoxy-1-ethylquinolin-1-ium tetrafluoroborate
CID 22263271
4-methoxy-1,2-dimethylquinolin-1-ium
CID 3299774
4-ethoxynaphthalen-2-amine
CID 57115135
2-chloro-4-ethoxynaphthalen-1-ol
CID 121473034
2-bromo-4-ethoxyquinoline
CID 824618
4-ethoxychromen-2-one
CID 688703
4-ethoxychromenylium
CID 12655463
lithium;1-ethoxynaphthalene;hydride
CID 174613942
4-ethoxy-2-phenylquinoline
CID 14954061
(2-ethylphenyl) 10-methylacridin-10-ium-9-carboxylate
CID 102474340
N-benzyl-3-ethoxy-5-iodo-4-propoxybenzamide
CID 3971537

Frequently Asked Questions

What is the IUPAC name of 2,4-diethoxy-1-methylquinolin-1-ium?
The IUPAC name of 2,4-diethoxy-1-methylquinolin-1-ium (CID 10158034) is 2,4-diethoxy-1-methylquinolin-1-ium.
What is the SMILES notation for 2,4-diethoxy-1-methylquinolin-1-ium?
The canonical SMILES for 2,4-diethoxy-1-methylquinolin-1-ium is CCOc1cc(OCC)[n+](C)c2ccccc12.
What is the InChIKey of 2,4-diethoxy-1-methylquinolin-1-ium?
The InChIKey is ZXHRURPXJWIBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18NO2/c1-4-16-13-10-14(17-5-2)15(3)12-9-7-6-8-11(12)13/h6-10H,4-5H2,1-3H3/q+1.
What are the key properties of 2,4-diethoxy-1-methylquinolin-1-ium?
2,4-diethoxy-1-methylquinolin-1-ium has a molecular weight of 232.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethoxy-1-methylquinolin-1-ium is sourced from PubChem (CID 10158034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).