2-(chloromethyl)-4-(3-methylbutoxy)quinoline

C15H18ClNO — CID 55185069

IUPAC2-(chloromethyl)-4-(3-methylbutoxy)quinoline
SMILESCC(C)CCOc1cc(CCl)nc2ccccc12
InChIInChI=1S/C15H18ClNO/c1-11(2)7-8-18-15-9-12(10-16)17-14-6-4-3-5-13(14)15/h3-6,9,11H,7-8,10H2,1-2H3
InChIKeyCQRKDYDXFKTOOW-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.40
Rot. Bonds5

About 2-(chloromethyl)-4-(3-methylbutoxy)quinoline

2-(chloromethyl)-4-(3-methylbutoxy)quinoline (PubChem CID 55185069) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(3-methylbutoxy)quinoline.

Molecular Properties

Compound Name2-(chloromethyl)-4-(3-methylbutoxy)quinoline
PubChem CID55185069
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name2-(chloromethyl)-4-(3-methylbutoxy)quinoline
SMILESCC(C)CCOc1cc(CCl)nc2ccccc12
InChIInChI=1S/C15H18ClNO/c1-11(2)7-8-18-15-9-12(10-16)17-14-6-4-3-5-13(14)15/h3-6,9,11H,7-8,10H2,1-2H3
InChIKeyCQRKDYDXFKTOOW-UHFFFAOYSA-N
XLogP4.40
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(3-methylbutoxy)quinoline?
The IUPAC name of 2-(chloromethyl)-4-(3-methylbutoxy)quinoline (CID 55185069) is 2-(chloromethyl)-4-(3-methylbutoxy)quinoline.
What is the SMILES notation for 2-(chloromethyl)-4-(3-methylbutoxy)quinoline?
The canonical SMILES for 2-(chloromethyl)-4-(3-methylbutoxy)quinoline is CC(C)CCOc1cc(CCl)nc2ccccc12.
What is the InChIKey of 2-(chloromethyl)-4-(3-methylbutoxy)quinoline?
The InChIKey is CQRKDYDXFKTOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-11(2)7-8-18-15-9-12(10-16)17-14-6-4-3-5-13(14)15/h3-6,9,11H,7-8,10H2,1-2H3.
What are the key properties of 2-(chloromethyl)-4-(3-methylbutoxy)quinoline?
2-(chloromethyl)-4-(3-methylbutoxy)quinoline has a molecular weight of 263.77 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(3-methylbutoxy)quinoline is sourced from PubChem (CID 55185069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).