4-chloro-3-(2-chloroethyl)-8-methoxy-2-methylquinoline

C13H13Cl2NO — CID 3332664

IUPAC4-chloro-3-(2-chloroethyl)-8-methoxy-2-methylquinoline
SMILESCOc1cccc2c(Cl)c(CCCl)c(C)nc12
InChIInChI=1S/C13H13Cl2NO/c1-8-9(6-7-14)12(15)10-4-3-5-11(17-2)13(10)16-8/h3-5H,6-7H2,1-2H3
InChIKeySMBVDPXPBHJOGJ-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.99
Rot. Bonds3

About 4-chloro-3-(2-chloroethyl)-8-methoxy-2-methylquinoline

4-chloro-3-(2-chloroethyl)-8-methoxy-2-methylquinoline (PubChem CID 3332664) has the molecular formula C13H13Cl2NO and a molecular weight of 270.16 g/mol. Its IUPAC name is 4-chloro-3-(2-chloroethyl)-8-methoxy-2-methylquinoline.

Molecular Properties

Compound Name4-chloro-3-(2-chloroethyl)-8-methoxy-2-methylquinoline
PubChem CID3332664
Molecular FormulaC13H13Cl2NO
Molecular Weight270.16 g/mol
Exact Mass269.04
IUPAC Name4-chloro-3-(2-chloroethyl)-8-methoxy-2-methylquinoline
SMILESCOc1cccc2c(Cl)c(CCCl)c(C)nc12
InChIInChI=1S/C13H13Cl2NO/c1-8-9(6-7-14)12(15)10-4-3-5-11(17-2)13(10)16-8/h3-5H,6-7H2,1-2H3
InChIKeySMBVDPXPBHJOGJ-UHFFFAOYSA-N
XLogP3.99
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.99
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

2-Chloro-6-methoxy-4-methylquinoline
CID 224788
6-Methoxyquinaldine
CID 70648
8-Methoxy-2-Methylquinoline
CID 316986
2,4-Dichloro-6-methoxyquinoline
CID 948356
8-Methoxyquinoline
CID 70310
8-(Benzyloxy)-2-methylquinoline
CID 737473
2-[(E)-2-(3-methoxyphenyl)ethenyl]quinolin-8-ol
CID 5731702
5,8-Dimethoxy-2,4-dimethylquinoline
CID 301207
2-Chloro-3-(chloromethyl)-7-methoxyquinoline
CID 2512529
3,9-Dichloro-7-methoxyacridine
CID 66577
4-Chloro-6-methoxy-2-methylquinoline
CID 610114
8-Quinolinol, 2-methoxy-
CID 762719

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2-chloroethyl)-8-methoxy-2-methylquinoline?
The IUPAC name of 4-chloro-3-(2-chloroethyl)-8-methoxy-2-methylquinoline (CID 3332664) is 4-chloro-3-(2-chloroethyl)-8-methoxy-2-methylquinoline.
What is the SMILES notation for 4-chloro-3-(2-chloroethyl)-8-methoxy-2-methylquinoline?
The canonical SMILES for 4-chloro-3-(2-chloroethyl)-8-methoxy-2-methylquinoline is COc1cccc2c(Cl)c(CCCl)c(C)nc12.
What is the InChIKey of 4-chloro-3-(2-chloroethyl)-8-methoxy-2-methylquinoline?
The InChIKey is SMBVDPXPBHJOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO/c1-8-9(6-7-14)12(15)10-4-3-5-11(17-2)13(10)16-8/h3-5H,6-7H2,1-2H3.
What are the key properties of 4-chloro-3-(2-chloroethyl)-8-methoxy-2-methylquinoline?
4-chloro-3-(2-chloroethyl)-8-methoxy-2-methylquinoline has a molecular weight of 270.16 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2-chloroethyl)-8-methoxy-2-methylquinoline is sourced from PubChem (CID 3332664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).