2-(2-chlorophenoxy)ethyl 2-naphthalen-1-ylquinoline-4-carboxylate

C28H20ClNO3 — CID 4551994

IUPAC2-(2-chlorophenoxy)ethyl 2-naphthalen-1-ylquinoline-4-carboxylate
SMILESO=C(OCCOc1ccccc1Cl)c1cc(-c2cccc3ccccc23)nc2ccccc12
InChIInChI=1S/C28H20ClNO3/c29-24-13-4-6-15-27(24)32-16-17-33-28(31)23-18-26(30-25-14-5-3-11-22(23)25)21-12-7-9-19-8-1-2-10-20(19)21/h1-15,18H,16-17H2
InChIKeyHUCAEYZEFXWTJW-UHFFFAOYSA-N
MW453.93 g/mol
LogP6.94
Rot. Bonds6

About 2-(2-chlorophenoxy)ethyl 2-naphthalen-1-ylquinoline-4-carboxylate

2-(2-chlorophenoxy)ethyl 2-naphthalen-1-ylquinoline-4-carboxylate (PubChem CID 4551994) has the molecular formula C28H20ClNO3 and a molecular weight of 453.93 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)ethyl 2-naphthalen-1-ylquinoline-4-carboxylate.

Molecular Properties

Compound Name2-(2-chlorophenoxy)ethyl 2-naphthalen-1-ylquinoline-4-carboxylate
PubChem CID4551994
Molecular FormulaC28H20ClNO3
Molecular Weight453.93 g/mol
Exact Mass453.11
IUPAC Name2-(2-chlorophenoxy)ethyl 2-naphthalen-1-ylquinoline-4-carboxylate
SMILESO=C(OCCOc1ccccc1Cl)c1cc(-c2cccc3ccccc23)nc2ccccc12
InChIInChI=1S/C28H20ClNO3/c29-24-13-4-6-15-27(24)32-16-17-33-28(31)23-18-26(30-25-14-5-3-11-22(23)25)21-12-7-9-19-8-1-2-10-20(19)21/h1-15,18H,16-17H2
InChIKeyHUCAEYZEFXWTJW-UHFFFAOYSA-N
XLogP6.94
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.93
LogP ≤ 56.94
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

2-(2,4-dichlorophenoxy)ethyl 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 3321077
(2-amino-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 2373664
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 23993753
[2-(benzylamino)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 2335666
[2-(2-chlorophenyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 126191212
2-(2,4-dichlorophenoxy)ethyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 5239858
2-naphthalen-1-ylquinoline-4-carbonyl chloride
CID 91689267
1,2,4-oxadiazol-3-ylmethyl 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 17493068
(2-butoxy-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 16569056
[2-oxo-2-(propan-2-ylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 2569270
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 8663404
[2-(diethylamino)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 2092168

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)ethyl 2-naphthalen-1-ylquinoline-4-carboxylate?
The IUPAC name of 2-(2-chlorophenoxy)ethyl 2-naphthalen-1-ylquinoline-4-carboxylate (CID 4551994) is 2-(2-chlorophenoxy)ethyl 2-naphthalen-1-ylquinoline-4-carboxylate.
What is the SMILES notation for 2-(2-chlorophenoxy)ethyl 2-naphthalen-1-ylquinoline-4-carboxylate?
The canonical SMILES for 2-(2-chlorophenoxy)ethyl 2-naphthalen-1-ylquinoline-4-carboxylate is O=C(OCCOc1ccccc1Cl)c1cc(-c2cccc3ccccc23)nc2ccccc12.
What is the InChIKey of 2-(2-chlorophenoxy)ethyl 2-naphthalen-1-ylquinoline-4-carboxylate?
The InChIKey is HUCAEYZEFXWTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20ClNO3/c29-24-13-4-6-15-27(24)32-16-17-33-28(31)23-18-26(30-25-14-5-3-11-22(23)25)21-12-7-9-19-8-1-2-10-20(19)21/h1-15,18H,16-17H2.
What are the key properties of 2-(2-chlorophenoxy)ethyl 2-naphthalen-1-ylquinoline-4-carboxylate?
2-(2-chlorophenoxy)ethyl 2-naphthalen-1-ylquinoline-4-carboxylate has a molecular weight of 453.93 g/mol, XLogP of 6.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)ethyl 2-naphthalen-1-ylquinoline-4-carboxylate is sourced from PubChem (CID 4551994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).