2-(2,4-dichlorophenoxy)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone

C18H17Cl2NO4 — CID 110636689

IUPAC2-(2,4-dichlorophenoxy)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCOc1ccc2c(c1)C(O)CCN2C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2NO4/c1-24-12-3-4-15-13(9-12)16(22)6-7-21(15)18(23)10-25-17-5-2-11(19)8-14(17)20/h2-5,8-9,16,22H,6-7,10H2,1H3
InChIKeyJDGGQPJUHCBGRQ-UHFFFAOYSA-N
MW382.24 g/mol
LogP3.85
Rot. Bonds4

About 2-(2,4-dichlorophenoxy)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone

2-(2,4-dichlorophenoxy)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 110636689) has the molecular formula C18H17Cl2NO4 and a molecular weight of 382.24 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID110636689
Molecular FormulaC18H17Cl2NO4
Molecular Weight382.24 g/mol
Exact Mass381.05
IUPAC Name2-(2,4-dichlorophenoxy)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCOc1ccc2c(c1)C(O)CCN2C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2NO4/c1-24-12-3-4-15-13(9-12)16(22)6-7-21(15)18(23)10-25-17-5-2-11(19)8-14(17)20/h2-5,8-9,16,22H,6-7,10H2,1H3
InChIKeyJDGGQPJUHCBGRQ-UHFFFAOYSA-N
XLogP3.85
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-(2,4-dichlorophenoxy)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 110636689) is 2-(2,4-dichlorophenoxy)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone is COc1ccc2c(c1)C(O)CCN2C(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is JDGGQPJUHCBGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO4/c1-24-12-3-4-15-13(9-12)16(22)6-7-21(15)18(23)10-25-17-5-2-11(19)8-14(17)20/h2-5,8-9,16,22H,6-7,10H2,1H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-(2,4-dichlorophenoxy)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 382.24 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 110636689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).