4-methoxy-1-[10-(4-methoxyquinolin-1-ium-1-yl)decyl]quinolin-1-ium

C30H38N2O2+2 — CID 67367495

IUPAC4-methoxy-1-[10-(4-methoxyquinolin-1-ium-1-yl)decyl]quinolin-1-ium
SMILESCOc1cc[n+](CCCCCCCCCC[n+]2ccc(OC)c3ccccc32)c2ccccc12
InChIInChI=1S/C30H38N2O2/c1-33-29-19-23-31(27-17-11-9-15-25(27)29)21-13-7-5-3-4-6-8-14-22-32-24-20-30(34-2)26-16-10-12-18-28(26)32/h9-12,15-20,23-24H,3-8,13-14,21-22H2,1-2H3/q+2
InChIKeyDHPNUIYKWAXLIT-UHFFFAOYSA-N
MW458.65 g/mol
LogP6.41
Rot. Bonds13

About 4-methoxy-1-[10-(4-methoxyquinolin-1-ium-1-yl)decyl]quinolin-1-ium

4-methoxy-1-[10-(4-methoxyquinolin-1-ium-1-yl)decyl]quinolin-1-ium (PubChem CID 67367495) has the molecular formula C30H38N2O2+2 and a molecular weight of 458.65 g/mol. Its IUPAC name is 4-methoxy-1-[10-(4-methoxyquinolin-1-ium-1-yl)decyl]quinolin-1-ium.

Molecular Properties

Compound Name4-methoxy-1-[10-(4-methoxyquinolin-1-ium-1-yl)decyl]quinolin-1-ium
PubChem CID67367495
Molecular FormulaC30H38N2O2+2
Molecular Weight458.65 g/mol
Exact Mass458.29
IUPAC Name4-methoxy-1-[10-(4-methoxyquinolin-1-ium-1-yl)decyl]quinolin-1-ium
SMILESCOc1cc[n+](CCCCCCCCCC[n+]2ccc(OC)c3ccccc32)c2ccccc12
InChIInChI=1S/C30H38N2O2/c1-33-29-19-23-31(27-17-11-9-15-25(27)29)21-13-7-5-3-4-6-8-14-22-32-24-20-30(34-2)26-16-10-12-18-28(26)32/h9-12,15-20,23-24H,3-8,13-14,21-22H2,1-2H3/q+2
InChIKeyDHPNUIYKWAXLIT-UHFFFAOYSA-N
XLogP6.41
TPSA26.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.65
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-methoxy-1-[10-(4-methoxyquinolin-1-ium-1-yl)decyl]quinolin-1-ium with MolForge

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Related Compounds

4-methyl-1-[6-(4-methylquinolin-1-ium-1-yl)hexyl]quinolin-1-ium dibromide
CID 51063224
4-methyl-1-[4-(4-methylquinolin-1-ium-1-yl)butyl]quinolin-1-ium
CID 3093348
1-[8-(4-aminoquinolin-1-ium-1-yl)octyl]quinolin-1-ium-4-amine
CID 10842005
4-methyl-1-pentylquinolin-1-ium
CID 86110329
6-(4-methylquinolin-1-ium-1-yl)hexanoic acid iodide
CID 67262652
1-(11-quinolin-1-ium-1-ylundecyl)quinolin-1-ium
CID 11238482
4-ethoxy-1-ethylquinolin-1-ium tetrafluoroborate
CID 22263271
1-(8-quinolin-1-ium-1-yloctyl)quinolin-1-ium dibromide
CID 54581375
5-hexylphenanthridin-5-ium
CID 10015686
4-methoxy-1-oxidocinnolin-1-ium
CID 86251772
1-hexadecylquinoxalin-1-ium bromide
CID 139756778
4-[2-(1-decylquinolin-1-ium-4-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine
CID 90739029

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[10-(4-methoxyquinolin-1-ium-1-yl)decyl]quinolin-1-ium?
The IUPAC name of 4-methoxy-1-[10-(4-methoxyquinolin-1-ium-1-yl)decyl]quinolin-1-ium (CID 67367495) is 4-methoxy-1-[10-(4-methoxyquinolin-1-ium-1-yl)decyl]quinolin-1-ium.
What is the SMILES notation for 4-methoxy-1-[10-(4-methoxyquinolin-1-ium-1-yl)decyl]quinolin-1-ium?
The canonical SMILES for 4-methoxy-1-[10-(4-methoxyquinolin-1-ium-1-yl)decyl]quinolin-1-ium is COc1cc[n+](CCCCCCCCCC[n+]2ccc(OC)c3ccccc32)c2ccccc12.
What is the InChIKey of 4-methoxy-1-[10-(4-methoxyquinolin-1-ium-1-yl)decyl]quinolin-1-ium?
The InChIKey is DHPNUIYKWAXLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O2/c1-33-29-19-23-31(27-17-11-9-15-25(27)29)21-13-7-5-3-4-6-8-14-22-32-24-20-30(34-2)26-16-10-12-18-28(26)32/h9-12,15-20,23-24H,3-8,13-14,21-22H2,1-2H3/q+2.
What are the key properties of 4-methoxy-1-[10-(4-methoxyquinolin-1-ium-1-yl)decyl]quinolin-1-ium?
4-methoxy-1-[10-(4-methoxyquinolin-1-ium-1-yl)decyl]quinolin-1-ium has a molecular weight of 458.65 g/mol, XLogP of 6.41, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[10-(4-methoxyquinolin-1-ium-1-yl)decyl]quinolin-1-ium is sourced from PubChem (CID 67367495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).