ethyl 6-[4-(4-chlorophenyl)quinolin-2-yl]oxyhexanoate

C23H24ClNO3 — CID 10453447

IUPACethyl 6-[4-(4-chlorophenyl)quinolin-2-yl]oxyhexanoate
SMILESCCOC(=O)CCCCCOc1cc(-c2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C23H24ClNO3/c1-2-27-23(26)10-4-3-7-15-28-22-16-20(17-11-13-18(24)14-12-17)19-8-5-6-9-21(19)25-22/h5-6,8-9,11-14,16H,2-4,7,10,15H2,1H3
InChIKeyLSVYRYWYXMXRAG-UHFFFAOYSA-N
MW397.90 g/mol
LogP6.06
Rot. Bonds9

About ethyl 6-[4-(4-chlorophenyl)quinolin-2-yl]oxyhexanoate

ethyl 6-[4-(4-chlorophenyl)quinolin-2-yl]oxyhexanoate (PubChem CID 10453447) has the molecular formula C23H24ClNO3 and a molecular weight of 397.90 g/mol. Its IUPAC name is ethyl 6-[4-(4-chlorophenyl)quinolin-2-yl]oxyhexanoate.

Molecular Properties

Compound Nameethyl 6-[4-(4-chlorophenyl)quinolin-2-yl]oxyhexanoate
PubChem CID10453447
Molecular FormulaC23H24ClNO3
Molecular Weight397.90 g/mol
Exact Mass397.14
IUPAC Nameethyl 6-[4-(4-chlorophenyl)quinolin-2-yl]oxyhexanoate
SMILESCCOC(=O)CCCCCOc1cc(-c2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C23H24ClNO3/c1-2-27-23(26)10-4-3-7-15-28-22-16-20(17-11-13-18(24)14-12-17)19-8-5-6-9-21(19)25-22/h5-6,8-9,11-14,16H,2-4,7,10,15H2,1H3
InChIKeyLSVYRYWYXMXRAG-UHFFFAOYSA-N
XLogP6.06
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.90
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 7-(4-chlorophenoxy)heptanoate
CID 158846599
ethyl 6-[(6-tert-butyl-4-phenyl-2-pyridinyl)oxy]hexanoate
CID 67743403
methyl 6-(7-chloro-4-phenylquinolin-2-yl)oxy-2,2-dimethylhexanoate
CID 10454319
methyl 6-[4-(3-chlorophenyl)quinolin-2-yl]oxy-2,2-dimethylhexanoate
CID 11742392
ethyl 6-[5-(4-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]hexanoate
CID 69007578
2,2-dimethyl-6-[4-(3-methylphenyl)quinolin-2-yl]oxyhexanoic acid
CID 18987370
ethyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]acetate
CID 23794369
ethyl 6-(2-amino-6-chloroquinazolin-4-yl)hexanoate
CID 151140102
ethyl 4-[2-(6-hydroxynaphthalen-2-yl)-6-phenylpyrimidin-4-yl]oxybutanoate
CID 135932191
2-pentoxyquinoline-4-carbonyl chloride
CID 10423651
ethyl 5-[4-[(2-methylquinazolin-4-yl)amino]phenoxy]pentanoate
CID 122550142
ethyl 19-anthracen-1-yloxynonadecanoate
CID 175607147

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[4-(4-chlorophenyl)quinolin-2-yl]oxyhexanoate?
The IUPAC name of ethyl 6-[4-(4-chlorophenyl)quinolin-2-yl]oxyhexanoate (CID 10453447) is ethyl 6-[4-(4-chlorophenyl)quinolin-2-yl]oxyhexanoate.
What is the SMILES notation for ethyl 6-[4-(4-chlorophenyl)quinolin-2-yl]oxyhexanoate?
The canonical SMILES for ethyl 6-[4-(4-chlorophenyl)quinolin-2-yl]oxyhexanoate is CCOC(=O)CCCCCOc1cc(-c2ccc(Cl)cc2)c2ccccc2n1.
What is the InChIKey of ethyl 6-[4-(4-chlorophenyl)quinolin-2-yl]oxyhexanoate?
The InChIKey is LSVYRYWYXMXRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO3/c1-2-27-23(26)10-4-3-7-15-28-22-16-20(17-11-13-18(24)14-12-17)19-8-5-6-9-21(19)25-22/h5-6,8-9,11-14,16H,2-4,7,10,15H2,1H3.
What are the key properties of ethyl 6-[4-(4-chlorophenyl)quinolin-2-yl]oxyhexanoate?
ethyl 6-[4-(4-chlorophenyl)quinolin-2-yl]oxyhexanoate has a molecular weight of 397.90 g/mol, XLogP of 6.06, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[4-(4-chlorophenyl)quinolin-2-yl]oxyhexanoate is sourced from PubChem (CID 10453447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).