ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]-2-methylpropanoate

C22H22ClNO3 — CID 86301490

IUPACethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
InChIInChI=1S/C22H22ClNO3/c1-4-26-21(25)22(2,3)17-11-16-8-9-19(12-20(16)24-13-17)27-14-15-6-5-7-18(23)10-15/h5-13H,4,14H2,1-3H3
InChIKeyCBOYMBMRQBAPOU-UHFFFAOYSA-N
MW383.88 g/mol
LogP5.31
Rot. Bonds6

About ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]-2-methylpropanoate

ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]-2-methylpropanoate (PubChem CID 86301490) has the molecular formula C22H22ClNO3 and a molecular weight of 383.88 g/mol. Its IUPAC name is ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]-2-methylpropanoate
PubChem CID86301490
Molecular FormulaC22H22ClNO3
Molecular Weight383.88 g/mol
Exact Mass383.13
IUPAC Nameethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
InChIInChI=1S/C22H22ClNO3/c1-4-26-21(25)22(2,3)17-11-16-8-9-19(12-20(16)24-13-17)27-14-15-6-5-7-18(23)10-15/h5-13H,4,14H2,1-3H3
InChIKeyCBOYMBMRQBAPOU-UHFFFAOYSA-N
XLogP5.31
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.88
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]-2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]-2-methylpropanoate?
The IUPAC name of ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]-2-methylpropanoate (CID 86301490) is ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]-2-methylpropanoate is CCOC(=O)C(C)(C)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.
What is the InChIKey of ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]-2-methylpropanoate?
The InChIKey is CBOYMBMRQBAPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO3/c1-4-26-21(25)22(2,3)17-11-16-8-9-19(12-20(16)24-13-17)27-14-15-6-5-7-18(23)10-15/h5-13H,4,14H2,1-3H3.
What are the key properties of ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]-2-methylpropanoate?
ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]-2-methylpropanoate has a molecular weight of 383.88 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]-2-methylpropanoate is sourced from PubChem (CID 86301490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).