8-(2,4-dichlorophenoxy)-1,2,3,4-tetrahydroquinoline

C15H13Cl2NO — CID 139601365

IUPAC8-(2,4-dichlorophenoxy)-1,2,3,4-tetrahydroquinoline
SMILESClc1ccc(Oc2cccc3c2NCCC3)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO/c16-11-6-7-13(12(17)9-11)19-14-5-1-3-10-4-2-8-18-15(10)14/h1,3,5-7,9,18H,2,4,8H2
InChIKeyUKFGPNJVBNHFJP-UHFFFAOYSA-N
MW294.18 g/mol
LogP5.14
Rot. Bonds2

About 8-(2,4-dichlorophenoxy)-1,2,3,4-tetrahydroquinoline

8-(2,4-dichlorophenoxy)-1,2,3,4-tetrahydroquinoline (PubChem CID 139601365) has the molecular formula C15H13Cl2NO and a molecular weight of 294.18 g/mol. Its IUPAC name is 8-(2,4-dichlorophenoxy)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-(2,4-dichlorophenoxy)-1,2,3,4-tetrahydroquinoline
PubChem CID139601365
Molecular FormulaC15H13Cl2NO
Molecular Weight294.18 g/mol
Exact Mass293.04
IUPAC Name8-(2,4-dichlorophenoxy)-1,2,3,4-tetrahydroquinoline
SMILESClc1ccc(Oc2cccc3c2NCCC3)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO/c16-11-6-7-13(12(17)9-11)19-14-5-1-3-10-4-2-8-18-15(10)14/h1,3,5-7,9,18H,2,4,8H2
InChIKeyUKFGPNJVBNHFJP-UHFFFAOYSA-N
XLogP5.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.18
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)benzamide
CID 62494221
8-[(5-chloro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 54907879
8-[(5-bromo-3-chloro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 103582950
8-pyridin-4-yloxy-1,2,3,4-tetrahydroquinoline
CID 54908431
2-fluoro-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)benzonitrile
CID 61026238
3,5-difluoro-4-(1,2,3,4-tetrahydroquinolin-8-yloxy)benzonitrile
CID 81285817
8-pyridin-2-yloxy-1,2,3,4-tetrahydroquinoline
CID 61025631
8-[(3,5-difluoro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 112676286
8-(5-fluoro-2-nitrophenoxy)-1,2,3,4-tetrahydroquinoline
CID 62378003
3-chloro-4-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)benzonitrile
CID 102669506
8-(3-nitrophenoxy)-1,2,3,4-tetrahydroquinoline
CID 61025966
8-[(5-fluoro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 61313548

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dichlorophenoxy)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-(2,4-dichlorophenoxy)-1,2,3,4-tetrahydroquinoline (CID 139601365) is 8-(2,4-dichlorophenoxy)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-(2,4-dichlorophenoxy)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-(2,4-dichlorophenoxy)-1,2,3,4-tetrahydroquinoline is Clc1ccc(Oc2cccc3c2NCCC3)c(Cl)c1.
What is the InChIKey of 8-(2,4-dichlorophenoxy)-1,2,3,4-tetrahydroquinoline?
The InChIKey is UKFGPNJVBNHFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO/c16-11-6-7-13(12(17)9-11)19-14-5-1-3-10-4-2-8-18-15(10)14/h1,3,5-7,9,18H,2,4,8H2.
What are the key properties of 8-(2,4-dichlorophenoxy)-1,2,3,4-tetrahydroquinoline?
8-(2,4-dichlorophenoxy)-1,2,3,4-tetrahydroquinoline has a molecular weight of 294.18 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dichlorophenoxy)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 139601365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).