ethyl 2-[4-[(6-chloro-1-methyl-2H-quinolin-3-yl)oxy]phenoxy]propanoate

C21H22ClNO4 — CID 70418872

IUPACethyl 2-[4-[(6-chloro-1-methyl-2H-quinolin-3-yl)oxy]phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(OC2=Cc3cc(Cl)ccc3N(C)C2)cc1
InChIInChI=1S/C21H22ClNO4/c1-4-25-21(24)14(2)26-17-6-8-18(9-7-17)27-19-12-15-11-16(22)5-10-20(15)23(3)13-19/h5-12,14H,4,13H2,1-3H3
InChIKeyZCACAELEIOWVJB-UHFFFAOYSA-N
MW387.86 g/mol
LogP4.54
Rot. Bonds6

About ethyl 2-[4-[(6-chloro-1-methyl-2H-quinolin-3-yl)oxy]phenoxy]propanoate

ethyl 2-[4-[(6-chloro-1-methyl-2H-quinolin-3-yl)oxy]phenoxy]propanoate (PubChem CID 70418872) has the molecular formula C21H22ClNO4 and a molecular weight of 387.86 g/mol. Its IUPAC name is ethyl 2-[4-[(6-chloro-1-methyl-2H-quinolin-3-yl)oxy]phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-[(6-chloro-1-methyl-2H-quinolin-3-yl)oxy]phenoxy]propanoate
PubChem CID70418872
Molecular FormulaC21H22ClNO4
Molecular Weight387.86 g/mol
Exact Mass387.12
IUPAC Nameethyl 2-[4-[(6-chloro-1-methyl-2H-quinolin-3-yl)oxy]phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(OC2=Cc3cc(Cl)ccc3N(C)C2)cc1
InChIInChI=1S/C21H22ClNO4/c1-4-25-21(24)14(2)26-17-6-8-18(9-7-17)27-19-12-15-11-16(22)5-10-20(15)23(3)13-19/h5-12,14H,4,13H2,1-3H3
InChIKeyZCACAELEIOWVJB-UHFFFAOYSA-N
XLogP4.54
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.86
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[4-[(6-chloro-1-methyl-2H-quinolin-3-yl)oxy]phenoxy]propanoate with MolForge

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Related Compounds

ethyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]propanoate
CID 5379092
ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate
CID 67661567
ethyl 2-(4-iodophenoxy)propanoate
CID 17024636
2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid
CID 90478258
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
ethyl (2S,3R)-2-(4-chlorophenoxy)-3-hydroxybutanoate
CID 11436840
ethyl 2-[4-(2,6-dichloro-3-methylphenoxy)phenoxy]propanoate
CID 11245621
ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate;propanoic acid
CID 175014262
2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoic acid;ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate
CID 67616847
ethyl 2-[4-[(7-chlorocinnolin-3-yl)-methylamino]phenoxy]propanoate
CID 70481100
CID 59993707
CID 59993707
ethyl 2-[[3-(2,4-dichlorophenyl)-2H-triazol-1-yl]oxy]propanoate
CID 23048453

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(6-chloro-1-methyl-2H-quinolin-3-yl)oxy]phenoxy]propanoate?
The IUPAC name of ethyl 2-[4-[(6-chloro-1-methyl-2H-quinolin-3-yl)oxy]phenoxy]propanoate (CID 70418872) is ethyl 2-[4-[(6-chloro-1-methyl-2H-quinolin-3-yl)oxy]phenoxy]propanoate.
What is the SMILES notation for ethyl 2-[4-[(6-chloro-1-methyl-2H-quinolin-3-yl)oxy]phenoxy]propanoate?
The canonical SMILES for ethyl 2-[4-[(6-chloro-1-methyl-2H-quinolin-3-yl)oxy]phenoxy]propanoate is CCOC(=O)C(C)Oc1ccc(OC2=Cc3cc(Cl)ccc3N(C)C2)cc1.
What is the InChIKey of ethyl 2-[4-[(6-chloro-1-methyl-2H-quinolin-3-yl)oxy]phenoxy]propanoate?
The InChIKey is ZCACAELEIOWVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO4/c1-4-25-21(24)14(2)26-17-6-8-18(9-7-17)27-19-12-15-11-16(22)5-10-20(15)23(3)13-19/h5-12,14H,4,13H2,1-3H3.
What are the key properties of ethyl 2-[4-[(6-chloro-1-methyl-2H-quinolin-3-yl)oxy]phenoxy]propanoate?
ethyl 2-[4-[(6-chloro-1-methyl-2H-quinolin-3-yl)oxy]phenoxy]propanoate has a molecular weight of 387.86 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(6-chloro-1-methyl-2H-quinolin-3-yl)oxy]phenoxy]propanoate is sourced from PubChem (CID 70418872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).