ethyl 4-(5-chloroquinolin-8-yl)-4-hydroxybutanoate

C15H16ClNO3 — CID 115960222

IUPACethyl 4-(5-chloroquinolin-8-yl)-4-hydroxybutanoate
SMILESCCOC(=O)CCC(O)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H16ClNO3/c1-2-20-14(19)8-7-13(18)11-5-6-12(16)10-4-3-9-17-15(10)11/h3-6,9,13,18H,2,7-8H2,1H3
InChIKeyPWSOKOFJWCEZFN-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.26
Rot. Bonds5

About ethyl 4-(5-chloroquinolin-8-yl)-4-hydroxybutanoate

ethyl 4-(5-chloroquinolin-8-yl)-4-hydroxybutanoate (PubChem CID 115960222) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is ethyl 4-(5-chloroquinolin-8-yl)-4-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 4-(5-chloroquinolin-8-yl)-4-hydroxybutanoate
PubChem CID115960222
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Nameethyl 4-(5-chloroquinolin-8-yl)-4-hydroxybutanoate
SMILESCCOC(=O)CCC(O)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H16ClNO3/c1-2-20-14(19)8-7-13(18)11-5-6-12(16)10-4-3-9-17-15(10)11/h3-6,9,13,18H,2,7-8H2,1H3
InChIKeyPWSOKOFJWCEZFN-UHFFFAOYSA-N
XLogP3.26
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-3-amino-3-(5-chloroquinolin-8-yl)propanoate
CID 113355755
methyl (3R)-3-amino-3-(5-chloroquinolin-8-yl)propanoate
CID 103940787
methyl 3-(5-chloroquinolin-8-yl)-3-hydroxy-2-methylpropanoate
CID 112618441
1-(5-chloroquinolin-8-yl)-2-phenylethanol
CID 112618238
ethyl 2-[(5-chloroquinolin-8-yl)oxycarbonylamino]acetate
CID 13338827
2-(3-chlorophenyl)-1-(5-chloroquinolin-8-yl)ethanol
CID 115960037
N-tert-butyl-2-chloro-2-(5-chloroquinolin-8-yl)acetamide
CID 115960338
ethyl 3-(5-chloroquinolin-8-yl)peroxy-2-methyl-3-oxopropanoate
CID 91373215
1-(5-chloroquinolin-8-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 115960088
methyl 3-(5-chloroquinolin-8-yl)-3-(propylamino)propanoate
CID 115960570
4-amino-3-(5-chloroquinolin-8-yl)pentanoic acid
CID 112618653
ethyl 2-[(5-chloroquinolin-8-yl)methylamino]propanoate
CID 115959237

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-chloroquinolin-8-yl)-4-hydroxybutanoate?
The IUPAC name of ethyl 4-(5-chloroquinolin-8-yl)-4-hydroxybutanoate (CID 115960222) is ethyl 4-(5-chloroquinolin-8-yl)-4-hydroxybutanoate.
What is the SMILES notation for ethyl 4-(5-chloroquinolin-8-yl)-4-hydroxybutanoate?
The canonical SMILES for ethyl 4-(5-chloroquinolin-8-yl)-4-hydroxybutanoate is CCOC(=O)CCC(O)c1ccc(Cl)c2cccnc12.
What is the InChIKey of ethyl 4-(5-chloroquinolin-8-yl)-4-hydroxybutanoate?
The InChIKey is PWSOKOFJWCEZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-2-20-14(19)8-7-13(18)11-5-6-12(16)10-4-3-9-17-15(10)11/h3-6,9,13,18H,2,7-8H2,1H3.
What are the key properties of ethyl 4-(5-chloroquinolin-8-yl)-4-hydroxybutanoate?
ethyl 4-(5-chloroquinolin-8-yl)-4-hydroxybutanoate has a molecular weight of 293.75 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-chloroquinolin-8-yl)-4-hydroxybutanoate is sourced from PubChem (CID 115960222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).