4-butoxy-2-(chloromethyl)quinoline

C14H16ClNO — CID 63375315

IUPAC4-butoxy-2-(chloromethyl)quinoline
SMILESCCCCOc1cc(CCl)nc2ccccc12
InChIInChI=1S/C14H16ClNO/c1-2-3-8-17-14-9-11(10-15)16-13-7-5-4-6-12(13)14/h4-7,9H,2-3,8,10H2,1H3
InChIKeyQDECTMGEQPPUIJ-UHFFFAOYSA-N
MW249.74 g/mol
LogP4.15
Rot. Bonds5

About 4-butoxy-2-(chloromethyl)quinoline

4-butoxy-2-(chloromethyl)quinoline (PubChem CID 63375315) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 4-butoxy-2-(chloromethyl)quinoline.

Molecular Properties

Compound Name4-butoxy-2-(chloromethyl)quinoline
PubChem CID63375315
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name4-butoxy-2-(chloromethyl)quinoline
SMILESCCCCOc1cc(CCl)nc2ccccc12
InChIInChI=1S/C14H16ClNO/c1-2-3-8-17-14-9-11(10-15)16-13-7-5-4-6-12(13)14/h4-7,9H,2-3,8,10H2,1H3
InChIKeyQDECTMGEQPPUIJ-UHFFFAOYSA-N
XLogP4.15
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-4-(3-methylbutoxy)quinoline
CID 55185069
2-[2-(chloromethyl)quinolin-4-yl]oxy-N,N-dimethylethanamine
CID 63375545
(4-heptoxyquinolin-2-yl)methanamine
CID 63377719
2-(chloromethyl)-4-methoxyquinoline
CID 63375679
1-[2-(chloromethyl)quinolin-4-yl]oxy-N,N,2-trimethylpropan-2-amine
CID 79680327
4-pentoxyquinolin-2-amine
CID 118174578
N,N-dibutyl-2-(chloromethyl)quinolin-4-amine
CID 63445296
2-(chloromethyl)-4-(4-iodophenoxy)quinoline
CID 63446807
2-(chloromethyl)-4-(1-phenylethoxy)quinoline
CID 63445964
[4-(2-methoxyethoxy)quinolin-2-yl]methanol
CID 63376021
2-(chloromethyl)-N-methyl-N-pentylquinolin-4-amine
CID 63445426
1-[4-(2-ethoxyethoxy)quinolin-2-yl]-N-methylmethanamine
CID 63377669

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-2-(chloromethyl)quinoline?
The IUPAC name of 4-butoxy-2-(chloromethyl)quinoline (CID 63375315) is 4-butoxy-2-(chloromethyl)quinoline.
What is the SMILES notation for 4-butoxy-2-(chloromethyl)quinoline?
The canonical SMILES for 4-butoxy-2-(chloromethyl)quinoline is CCCCOc1cc(CCl)nc2ccccc12.
What is the InChIKey of 4-butoxy-2-(chloromethyl)quinoline?
The InChIKey is QDECTMGEQPPUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-2-3-8-17-14-9-11(10-15)16-13-7-5-4-6-12(13)14/h4-7,9H,2-3,8,10H2,1H3.
What are the key properties of 4-butoxy-2-(chloromethyl)quinoline?
4-butoxy-2-(chloromethyl)quinoline has a molecular weight of 249.74 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-2-(chloromethyl)quinoline is sourced from PubChem (CID 63375315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).