2-chloro-3-(1-ethoxypropan-2-yloxymethyl)quinoline

C15H18ClNO2 — CID 103487973

IUPAC2-chloro-3-(1-ethoxypropan-2-yloxymethyl)quinoline
SMILESCCOCC(C)OCc1cc2ccccc2nc1Cl
InChIInChI=1S/C15H18ClNO2/c1-3-18-9-11(2)19-10-13-8-12-6-4-5-7-14(12)17-15(13)16/h4-8,11H,3,9-10H2,1-2H3
InChIKeyOXOMSHUPNOCPDA-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.83
Rot. Bonds6

About 2-chloro-3-(1-ethoxypropan-2-yloxymethyl)quinoline

2-chloro-3-(1-ethoxypropan-2-yloxymethyl)quinoline (PubChem CID 103487973) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-chloro-3-(1-ethoxypropan-2-yloxymethyl)quinoline.

Molecular Properties

Compound Name2-chloro-3-(1-ethoxypropan-2-yloxymethyl)quinoline
PubChem CID103487973
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name2-chloro-3-(1-ethoxypropan-2-yloxymethyl)quinoline
SMILESCCOCC(C)OCc1cc2ccccc2nc1Cl
InChIInChI=1S/C15H18ClNO2/c1-3-18-9-11(2)19-10-13-8-12-6-4-5-7-14(12)17-15(13)16/h4-8,11H,3,9-10H2,1-2H3
InChIKeyOXOMSHUPNOCPDA-UHFFFAOYSA-N
XLogP3.83
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(1-ethoxypropan-2-yloxymethyl)quinoline?
The IUPAC name of 2-chloro-3-(1-ethoxypropan-2-yloxymethyl)quinoline (CID 103487973) is 2-chloro-3-(1-ethoxypropan-2-yloxymethyl)quinoline.
What is the SMILES notation for 2-chloro-3-(1-ethoxypropan-2-yloxymethyl)quinoline?
The canonical SMILES for 2-chloro-3-(1-ethoxypropan-2-yloxymethyl)quinoline is CCOCC(C)OCc1cc2ccccc2nc1Cl.
What is the InChIKey of 2-chloro-3-(1-ethoxypropan-2-yloxymethyl)quinoline?
The InChIKey is OXOMSHUPNOCPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-3-18-9-11(2)19-10-13-8-12-6-4-5-7-14(12)17-15(13)16/h4-8,11H,3,9-10H2,1-2H3.
What are the key properties of 2-chloro-3-(1-ethoxypropan-2-yloxymethyl)quinoline?
2-chloro-3-(1-ethoxypropan-2-yloxymethyl)quinoline has a molecular weight of 279.77 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(1-ethoxypropan-2-yloxymethyl)quinoline is sourced from PubChem (CID 103487973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).