4-(iodomethyl)-4-(2-methoxyethyl)-2,3-dihydro-1H-quinoline

C13H18INO — CID 143386630

IUPAC4-(iodomethyl)-4-(2-methoxyethyl)-2,3-dihydro-1H-quinoline
SMILESCOCCC1(CI)CCNc2ccccc21
InChIInChI=1S/C13H18INO/c1-16-9-7-13(10-14)6-8-15-12-5-3-2-4-11(12)13/h2-5,15H,6-10H2,1H3
InChIKeyOVVUZRWCJDMGCT-UHFFFAOYSA-N
MW331.20 g/mol
LogP3.21
Rot. Bonds4

About 4-(iodomethyl)-4-(2-methoxyethyl)-2,3-dihydro-1H-quinoline

4-(iodomethyl)-4-(2-methoxyethyl)-2,3-dihydro-1H-quinoline (PubChem CID 143386630) has the molecular formula C13H18INO and a molecular weight of 331.20 g/mol. Its IUPAC name is 4-(iodomethyl)-4-(2-methoxyethyl)-2,3-dihydro-1H-quinoline.

Molecular Properties

Compound Name4-(iodomethyl)-4-(2-methoxyethyl)-2,3-dihydro-1H-quinoline
PubChem CID143386630
Molecular FormulaC13H18INO
Molecular Weight331.20 g/mol
Exact Mass331.04
IUPAC Name4-(iodomethyl)-4-(2-methoxyethyl)-2,3-dihydro-1H-quinoline
SMILESCOCCC1(CI)CCNc2ccccc21
InChIInChI=1S/C13H18INO/c1-16-9-7-13(10-14)6-8-15-12-5-3-2-4-11(12)13/h2-5,15H,6-10H2,1H3
InChIKeyOVVUZRWCJDMGCT-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(iodomethyl)-4-(2-methoxyethyl)-2,3-dihydro-1H-quinoline?
The IUPAC name of 4-(iodomethyl)-4-(2-methoxyethyl)-2,3-dihydro-1H-quinoline (CID 143386630) is 4-(iodomethyl)-4-(2-methoxyethyl)-2,3-dihydro-1H-quinoline.
What is the SMILES notation for 4-(iodomethyl)-4-(2-methoxyethyl)-2,3-dihydro-1H-quinoline?
The canonical SMILES for 4-(iodomethyl)-4-(2-methoxyethyl)-2,3-dihydro-1H-quinoline is COCCC1(CI)CCNc2ccccc21.
What is the InChIKey of 4-(iodomethyl)-4-(2-methoxyethyl)-2,3-dihydro-1H-quinoline?
The InChIKey is OVVUZRWCJDMGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO/c1-16-9-7-13(10-14)6-8-15-12-5-3-2-4-11(12)13/h2-5,15H,6-10H2,1H3.
What are the key properties of 4-(iodomethyl)-4-(2-methoxyethyl)-2,3-dihydro-1H-quinoline?
4-(iodomethyl)-4-(2-methoxyethyl)-2,3-dihydro-1H-quinoline has a molecular weight of 331.20 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(iodomethyl)-4-(2-methoxyethyl)-2,3-dihydro-1H-quinoline is sourced from PubChem (CID 143386630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).