5,7-dichloro-4-[2-oxo-2-[(2-phenylcyclopropyl)amino]ethoxy]naphthalene-2-carboxylic acid

C22H17Cl2NO4 — CID 67481628

IUPAC5,7-dichloro-4-[2-oxo-2-[(2-phenylcyclopropyl)amino]ethoxy]naphthalene-2-carboxylic acid
SMILESO=C(COc1cc(C(=O)O)cc2cc(Cl)cc(Cl)c12)NC1CC1c1ccccc1
InChIInChI=1S/C22H17Cl2NO4/c23-15-7-13-6-14(22(27)28)8-19(21(13)17(24)9-15)29-11-20(26)25-18-10-16(18)12-4-2-1-3-5-12/h1-9,16,18H,10-11H2,(H,25,26)(H,27,28)
InChIKeyOFGXJXHGSMZISW-UHFFFAOYSA-N
MW430.29 g/mol
LogP4.90
Rot. Bonds6

About 5,7-dichloro-4-[2-oxo-2-[(2-phenylcyclopropyl)amino]ethoxy]naphthalene-2-carboxylic acid

5,7-dichloro-4-[2-oxo-2-[(2-phenylcyclopropyl)amino]ethoxy]naphthalene-2-carboxylic acid (PubChem CID 67481628) has the molecular formula C22H17Cl2NO4 and a molecular weight of 430.29 g/mol. Its IUPAC name is 5,7-dichloro-4-[2-oxo-2-[(2-phenylcyclopropyl)amino]ethoxy]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name5,7-dichloro-4-[2-oxo-2-[(2-phenylcyclopropyl)amino]ethoxy]naphthalene-2-carboxylic acid
PubChem CID67481628
Molecular FormulaC22H17Cl2NO4
Molecular Weight430.29 g/mol
Exact Mass429.05
IUPAC Name5,7-dichloro-4-[2-oxo-2-[(2-phenylcyclopropyl)amino]ethoxy]naphthalene-2-carboxylic acid
SMILESO=C(COc1cc(C(=O)O)cc2cc(Cl)cc(Cl)c12)NC1CC1c1ccccc1
InChIInChI=1S/C22H17Cl2NO4/c23-15-7-13-6-14(22(27)28)8-19(21(13)17(24)9-15)29-11-20(26)25-18-10-16(18)12-4-2-1-3-5-12/h1-9,16,18H,10-11H2,(H,25,26)(H,27,28)
InChIKeyOFGXJXHGSMZISW-UHFFFAOYSA-N
XLogP4.90
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.29
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-4-[2-oxo-2-[(2-phenylcyclopropyl)amino]ethoxy]naphthalene-2-carboxylic acid?
The IUPAC name of 5,7-dichloro-4-[2-oxo-2-[(2-phenylcyclopropyl)amino]ethoxy]naphthalene-2-carboxylic acid (CID 67481628) is 5,7-dichloro-4-[2-oxo-2-[(2-phenylcyclopropyl)amino]ethoxy]naphthalene-2-carboxylic acid.
What is the SMILES notation for 5,7-dichloro-4-[2-oxo-2-[(2-phenylcyclopropyl)amino]ethoxy]naphthalene-2-carboxylic acid?
The canonical SMILES for 5,7-dichloro-4-[2-oxo-2-[(2-phenylcyclopropyl)amino]ethoxy]naphthalene-2-carboxylic acid is O=C(COc1cc(C(=O)O)cc2cc(Cl)cc(Cl)c12)NC1CC1c1ccccc1.
What is the InChIKey of 5,7-dichloro-4-[2-oxo-2-[(2-phenylcyclopropyl)amino]ethoxy]naphthalene-2-carboxylic acid?
The InChIKey is OFGXJXHGSMZISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2NO4/c23-15-7-13-6-14(22(27)28)8-19(21(13)17(24)9-15)29-11-20(26)25-18-10-16(18)12-4-2-1-3-5-12/h1-9,16,18H,10-11H2,(H,25,26)(H,27,28).
What are the key properties of 5,7-dichloro-4-[2-oxo-2-[(2-phenylcyclopropyl)amino]ethoxy]naphthalene-2-carboxylic acid?
5,7-dichloro-4-[2-oxo-2-[(2-phenylcyclopropyl)amino]ethoxy]naphthalene-2-carboxylic acid has a molecular weight of 430.29 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-4-[2-oxo-2-[(2-phenylcyclopropyl)amino]ethoxy]naphthalene-2-carboxylic acid is sourced from PubChem (CID 67481628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).