4-chloro-7-(3-chloropropoxy)-6-methylquinoline

C13H13Cl2NO — CID 90348110

IUPAC4-chloro-7-(3-chloropropoxy)-6-methylquinoline
SMILESCc1cc2c(Cl)ccnc2cc1OCCCCl
InChIInChI=1S/C13H13Cl2NO/c1-9-7-10-11(15)3-5-16-12(10)8-13(9)17-6-2-4-14/h3,5,7-8H,2,4,6H2,1H3
InChIKeyINTLKERLAKGUDQ-UHFFFAOYSA-N
MW270.16 g/mol
LogP4.20
Rot. Bonds4

About 4-chloro-7-(3-chloropropoxy)-6-methylquinoline

4-chloro-7-(3-chloropropoxy)-6-methylquinoline (PubChem CID 90348110) has the molecular formula C13H13Cl2NO and a molecular weight of 270.16 g/mol. Its IUPAC name is 4-chloro-7-(3-chloropropoxy)-6-methylquinoline.

Molecular Properties

Compound Name4-chloro-7-(3-chloropropoxy)-6-methylquinoline
PubChem CID90348110
Molecular FormulaC13H13Cl2NO
Molecular Weight270.16 g/mol
Exact Mass269.04
IUPAC Name4-chloro-7-(3-chloropropoxy)-6-methylquinoline
SMILESCc1cc2c(Cl)ccnc2cc1OCCCCl
InChIInChI=1S/C13H13Cl2NO/c1-9-7-10-11(15)3-5-16-12(10)8-13(9)17-6-2-4-14/h3,5,7-8H,2,4,6H2,1H3
InChIKeyINTLKERLAKGUDQ-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-(3-chloropropoxy)-6-methylquinoline?
The IUPAC name of 4-chloro-7-(3-chloropropoxy)-6-methylquinoline (CID 90348110) is 4-chloro-7-(3-chloropropoxy)-6-methylquinoline.
What is the SMILES notation for 4-chloro-7-(3-chloropropoxy)-6-methylquinoline?
The canonical SMILES for 4-chloro-7-(3-chloropropoxy)-6-methylquinoline is Cc1cc2c(Cl)ccnc2cc1OCCCCl.
What is the InChIKey of 4-chloro-7-(3-chloropropoxy)-6-methylquinoline?
The InChIKey is INTLKERLAKGUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO/c1-9-7-10-11(15)3-5-16-12(10)8-13(9)17-6-2-4-14/h3,5,7-8H,2,4,6H2,1H3.
What are the key properties of 4-chloro-7-(3-chloropropoxy)-6-methylquinoline?
4-chloro-7-(3-chloropropoxy)-6-methylquinoline has a molecular weight of 270.16 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-(3-chloropropoxy)-6-methylquinoline is sourced from PubChem (CID 90348110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).