4-chloro-3-(3-chloropropyl)-6-methoxyquinoline

C13H13Cl2NO — CID 89139556

IUPAC4-chloro-3-(3-chloropropyl)-6-methoxyquinoline
SMILESCOc1ccc2ncc(CCCCl)c(Cl)c2c1
InChIInChI=1S/C13H13Cl2NO/c1-17-10-4-5-12-11(7-10)13(15)9(8-16-12)3-2-6-14/h4-5,7-8H,2-3,6H2,1H3
InChIKeyHYLCSJMRRPZGDJ-UHFFFAOYSA-N
MW270.16 g/mol
LogP4.07
Rot. Bonds4

About 4-chloro-3-(3-chloropropyl)-6-methoxyquinoline

4-chloro-3-(3-chloropropyl)-6-methoxyquinoline (PubChem CID 89139556) has the molecular formula C13H13Cl2NO and a molecular weight of 270.16 g/mol. Its IUPAC name is 4-chloro-3-(3-chloropropyl)-6-methoxyquinoline.

Molecular Properties

Compound Name4-chloro-3-(3-chloropropyl)-6-methoxyquinoline
PubChem CID89139556
Molecular FormulaC13H13Cl2NO
Molecular Weight270.16 g/mol
Exact Mass269.04
IUPAC Name4-chloro-3-(3-chloropropyl)-6-methoxyquinoline
SMILESCOc1ccc2ncc(CCCCl)c(Cl)c2c1
InChIInChI=1S/C13H13Cl2NO/c1-17-10-4-5-12-11(7-10)13(15)9(8-16-12)3-2-6-14/h4-5,7-8H,2-3,6H2,1H3
InChIKeyHYLCSJMRRPZGDJ-UHFFFAOYSA-N
XLogP4.07
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-1-(4-chloro-6-methoxyquinolin-3-yl)hexan-2-one
CID 176655507
4-chloro-3-(2-chloroethyl)-6-methylquinoline
CID 817864
4-chloro-6-methoxyquinoline-3-carbonitrile
CID 87839135
2-chloro-N-(4-chloro-6-methoxyquinolin-3-yl)acetamide
CID 89139592
tert-butyl 4-[2-[3-(4-chloro-6-methoxyquinolin-3-yl)propylamino]-2-oxoethyl]piperidine-1-carboxylate
CID 143875929
1-chloro-4-ethyl-7-methoxyisoquinoline
CID 115063327
(4-chloro-6-methoxyquinolin-3-yl)-(4-methoxyphenyl)methanone
CID 53491110
4-chloro-3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinoline
CID 56923475
2-butyl-9-methoxypyrano[2,3-c]quinolin-3-one
CID 90348337
4-chloro-6,7-dimethoxy-3-[2-(4-methylsulfanylphenoxy)ethyl]quinoline
CID 167284416
4-chloro-7-(3-chloropropyl)-6-methoxyquinoline-3-carbonitrile
CID 141337550
4-[3-(4-chlorophenoxy)propoxy]-6-methoxyquinoline-3-carbonitrile
CID 166329872

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3-chloropropyl)-6-methoxyquinoline?
The IUPAC name of 4-chloro-3-(3-chloropropyl)-6-methoxyquinoline (CID 89139556) is 4-chloro-3-(3-chloropropyl)-6-methoxyquinoline.
What is the SMILES notation for 4-chloro-3-(3-chloropropyl)-6-methoxyquinoline?
The canonical SMILES for 4-chloro-3-(3-chloropropyl)-6-methoxyquinoline is COc1ccc2ncc(CCCCl)c(Cl)c2c1.
What is the InChIKey of 4-chloro-3-(3-chloropropyl)-6-methoxyquinoline?
The InChIKey is HYLCSJMRRPZGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO/c1-17-10-4-5-12-11(7-10)13(15)9(8-16-12)3-2-6-14/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 4-chloro-3-(3-chloropropyl)-6-methoxyquinoline?
4-chloro-3-(3-chloropropyl)-6-methoxyquinoline has a molecular weight of 270.16 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(3-chloropropyl)-6-methoxyquinoline is sourced from PubChem (CID 89139556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).