5-[(8S)-3-(2,4-dichlorophenoxy)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazolidine-2,4-dione

C18H14Cl2N2O4 — CID 11596327

IUPAC5-[(8S)-3-(2,4-dichlorophenoxy)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)C([C@H]2CCCc3cc(Oc4ccc(Cl)cc4Cl)cnc32)O1
InChIInChI=1S/C18H14Cl2N2O4/c19-10-4-5-14(13(20)7-10)25-11-6-9-2-1-3-12(15(9)21-8-11)16-17(23)22-18(24)26-16/h4-8,12,16H,1-3H2,(H,22,23,24)/t12-,16?/m0/s1
InChIKeyLNUZSNKHUGQBNX-HKALDPMFSA-N
MW393.23 g/mol
LogP4.24
Rot. Bonds3

About 5-[(8S)-3-(2,4-dichlorophenoxy)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazolidine-2,4-dione

5-[(8S)-3-(2,4-dichlorophenoxy)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 11596327) has the molecular formula C18H14Cl2N2O4 and a molecular weight of 393.23 g/mol. Its IUPAC name is 5-[(8S)-3-(2,4-dichlorophenoxy)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(8S)-3-(2,4-dichlorophenoxy)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazolidine-2,4-dione
PubChem CID11596327
Molecular FormulaC18H14Cl2N2O4
Molecular Weight393.23 g/mol
Exact Mass392.03
IUPAC Name5-[(8S)-3-(2,4-dichlorophenoxy)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)C([C@H]2CCCc3cc(Oc4ccc(Cl)cc4Cl)cnc32)O1
InChIInChI=1S/C18H14Cl2N2O4/c19-10-4-5-14(13(20)7-10)25-11-6-9-2-1-3-12(15(9)21-8-11)16-17(23)22-18(24)26-16/h4-8,12,16H,1-3H2,(H,22,23,24)/t12-,16?/m0/s1
InChIKeyLNUZSNKHUGQBNX-HKALDPMFSA-N
XLogP4.24
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.23
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(8S)-3-(2,4-dichlorophenoxy)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-[(8S)-3-(2,4-dichlorophenoxy)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazolidine-2,4-dione (CID 11596327) is 5-[(8S)-3-(2,4-dichlorophenoxy)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-[(8S)-3-(2,4-dichlorophenoxy)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-[(8S)-3-(2,4-dichlorophenoxy)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazolidine-2,4-dione is O=C1NC(=O)C([C@H]2CCCc3cc(Oc4ccc(Cl)cc4Cl)cnc32)O1.
What is the InChIKey of 5-[(8S)-3-(2,4-dichlorophenoxy)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is LNUZSNKHUGQBNX-HKALDPMFSA-N. The full InChI is InChI=1S/C18H14Cl2N2O4/c19-10-4-5-14(13(20)7-10)25-11-6-9-2-1-3-12(15(9)21-8-11)16-17(23)22-18(24)26-16/h4-8,12,16H,1-3H2,(H,22,23,24)/t12-,16?/m0/s1.
What are the key properties of 5-[(8S)-3-(2,4-dichlorophenoxy)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazolidine-2,4-dione?
5-[(8S)-3-(2,4-dichlorophenoxy)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 393.23 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8S)-3-(2,4-dichlorophenoxy)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 11596327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).