5-[[4-(7-chloroquinolin-4-yl)oxy-2-propylphenyl]methyl]-1,3-oxazolidine-2,4-dione

C22H19ClN2O4 — CID 143665420

IUPAC5-[[4-(7-chloroquinolin-4-yl)oxy-2-propylphenyl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCCCc1cc(Oc2ccnc3cc(Cl)ccc23)ccc1CC1OC(=O)NC1=O
InChIInChI=1S/C22H19ClN2O4/c1-2-3-13-10-16(6-4-14(13)11-20-21(26)25-22(27)29-20)28-19-8-9-24-18-12-15(23)5-7-17(18)19/h4-10,12,20H,2-3,11H2,1H3,(H,25,26,27)
InChIKeyIEKCBTFPTIBZFH-UHFFFAOYSA-N
MW410.86 g/mol
LogP4.81
Rot. Bonds6

About 5-[[4-(7-chloroquinolin-4-yl)oxy-2-propylphenyl]methyl]-1,3-oxazolidine-2,4-dione

5-[[4-(7-chloroquinolin-4-yl)oxy-2-propylphenyl]methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 143665420) has the molecular formula C22H19ClN2O4 and a molecular weight of 410.86 g/mol. Its IUPAC name is 5-[[4-(7-chloroquinolin-4-yl)oxy-2-propylphenyl]methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-(7-chloroquinolin-4-yl)oxy-2-propylphenyl]methyl]-1,3-oxazolidine-2,4-dione
PubChem CID143665420
Molecular FormulaC22H19ClN2O4
Molecular Weight410.86 g/mol
Exact Mass410.10
IUPAC Name5-[[4-(7-chloroquinolin-4-yl)oxy-2-propylphenyl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCCCc1cc(Oc2ccnc3cc(Cl)ccc23)ccc1CC1OC(=O)NC1=O
InChIInChI=1S/C22H19ClN2O4/c1-2-3-13-10-16(6-4-14(13)11-20-21(26)25-22(27)29-20)28-19-8-9-24-18-12-15(23)5-7-17(18)19/h4-10,12,20H,2-3,11H2,1H3,(H,25,26,27)
InChIKeyIEKCBTFPTIBZFH-UHFFFAOYSA-N
XLogP4.81
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(7-chloroquinolin-4-yl)oxy-2-propylphenyl]methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-[[4-(7-chloroquinolin-4-yl)oxy-2-propylphenyl]methyl]-1,3-oxazolidine-2,4-dione (CID 143665420) is 5-[[4-(7-chloroquinolin-4-yl)oxy-2-propylphenyl]methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-(7-chloroquinolin-4-yl)oxy-2-propylphenyl]methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-[[4-(7-chloroquinolin-4-yl)oxy-2-propylphenyl]methyl]-1,3-oxazolidine-2,4-dione is CCCc1cc(Oc2ccnc3cc(Cl)ccc23)ccc1CC1OC(=O)NC1=O.
What is the InChIKey of 5-[[4-(7-chloroquinolin-4-yl)oxy-2-propylphenyl]methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is IEKCBTFPTIBZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O4/c1-2-3-13-10-16(6-4-14(13)11-20-21(26)25-22(27)29-20)28-19-8-9-24-18-12-15(23)5-7-17(18)19/h4-10,12,20H,2-3,11H2,1H3,(H,25,26,27).
What are the key properties of 5-[[4-(7-chloroquinolin-4-yl)oxy-2-propylphenyl]methyl]-1,3-oxazolidine-2,4-dione?
5-[[4-(7-chloroquinolin-4-yl)oxy-2-propylphenyl]methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 410.86 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(7-chloroquinolin-4-yl)oxy-2-propylphenyl]methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 143665420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).